3-[5-[(1-ethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide

C18H28N6O2 — CID 72908033

IUPAC3-[5-[(1-ethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide
SMILESCCn1cc(CN2CCCn3nc(CCC(=O)NCCO)cc3C2)cn1
InChIInChI=1S/C18H28N6O2/c1-2-23-13-15(11-20-23)12-22-7-3-8-24-17(14-22)10-16(21-24)4-5-18(26)19-6-9-25/h10-11,13,25H,2-9,12,14H2,1H3,(H,19,26)
InChIKeyDPRHEUZFASGMPG-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.55
Rot. Bonds8

About 3-[5-[(1-ethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide

3-[5-[(1-ethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide (PubChem CID 72908033) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[5-[(1-ethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-[5-[(1-ethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide
PubChem CID72908033
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name3-[5-[(1-ethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide
SMILESCCn1cc(CN2CCCn3nc(CCC(=O)NCCO)cc3C2)cn1
InChIInChI=1S/C18H28N6O2/c1-2-23-13-15(11-20-23)12-22-7-3-8-24-17(14-22)10-16(21-24)4-5-18(26)19-6-9-25/h10-11,13,25H,2-9,12,14H2,1H3,(H,19,26)
InChIKeyDPRHEUZFASGMPG-UHFFFAOYSA-N
XLogP0.55
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[5-[(1-ethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-({5-[(1-ethyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)cyclobutanecarboxamide
CID 70760448
N-[(5-isobutyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 70721099
N-({5-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)cyclobutanecarboxamide
CID 70744034
N-[1-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70736037
N-({5-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)-2-methoxyacetamide
CID 72841141
N-({5-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)cyclobutanecarboxamide
CID 70712096
N-({5-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)cyclobutanecarboxamide
CID 70745404
3-[5-(3,3-dimethylbutyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide
CID 72911615
N-[1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70707997
{1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]-2,5-dihydro-1H-pyrrol-2-yl}methanol hydrochloride
CID 70713168
1-[2-[3-oxo-3-(1-pyrrolidinyl)propyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-butanol
CID 70714159
N-({5-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)-2-methoxyacetamide
CID 70718158

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1-ethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-[5-[(1-ethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide (CID 72908033) is 3-[5-[(1-ethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-[5-[(1-ethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-[5-[(1-ethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide is CCn1cc(CN2CCCn3nc(CCC(=O)NCCO)cc3C2)cn1.
What is the InChIKey of 3-[5-[(1-ethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide?
The InChIKey is DPRHEUZFASGMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-2-23-13-15(11-20-23)12-22-7-3-8-24-17(14-22)10-16(21-24)4-5-18(26)19-6-9-25/h10-11,13,25H,2-9,12,14H2,1H3,(H,19,26).
What are the key properties of 3-[5-[(1-ethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide?
3-[5-[(1-ethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide has a molecular weight of 360.46 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1-ethylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 72908033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).