N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide

C17H26N6O2 — CID 70736037

IUPACN-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
SMILESCc1nn(CCO)c(C)c1NC(=O)CCc1cc2n(n1)CCCNC2
InChIInChI=1S/C17H26N6O2/c1-12-17(13(2)22(20-12)8-9-24)19-16(25)5-4-14-10-15-11-18-6-3-7-23(15)21-14/h10,18,24H,3-9,11H2,1-2H3,(H,19,25)
InChIKeyJOJOHRLLOPPGMS-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.75
Rot. Bonds6

About N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide

N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide (PubChem CID 70736037) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
PubChem CID70736037
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
SMILESCc1nn(CCO)c(C)c1NC(=O)CCc1cc2n(n1)CCCNC2
InChIInChI=1S/C17H26N6O2/c1-12-17(13(2)22(20-12)8-9-24)19-16(25)5-4-14-10-15-11-18-6-3-7-23(15)21-14/h10,18,24H,3-9,11H2,1-2H3,(H,19,25)
InChIKeyJOJOHRLLOPPGMS-UHFFFAOYSA-N
XLogP0.75
TPSA97.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide?
The IUPAC name of N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide (CID 70736037) is N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide is Cc1nn(CCO)c(C)c1NC(=O)CCc1cc2n(n1)CCCNC2.
What is the InChIKey of N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide?
The InChIKey is JOJOHRLLOPPGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-12-17(13(2)22(20-12)8-9-24)19-16(25)5-4-14-10-15-11-18-6-3-7-23(15)21-14/h10,18,24H,3-9,11H2,1-2H3,(H,19,25).
What are the key properties of N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide?
N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide has a molecular weight of 346.44 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide is sourced from PubChem (CID 70736037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).