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

C19H30N6O — CID 70707997

IUPACN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
SMILESCCn1nc(C)c(C(C)NC(=O)CCc2cc3n(n2)CCCNC3)c1C
InChIInChI=1S/C19H30N6O/c1-5-24-15(4)19(14(3)22-24)13(2)21-18(26)8-7-16-11-17-12-20-9-6-10-25(17)23-16/h11,13,20H,5-10,12H2,1-4H3,(H,21,26)
InChIKeyMRGGPJSOFPRBNF-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.02
Rot. Bonds6

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

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide (PubChem CID 70707997) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
PubChem CID70707997
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
SMILESCCn1nc(C)c(C(C)NC(=O)CCc2cc3n(n2)CCCNC3)c1C
InChIInChI=1S/C19H30N6O/c1-5-24-15(4)19(14(3)22-24)13(2)21-18(26)8-7-16-11-17-12-20-9-6-10-25(17)23-16/h11,13,20H,5-10,12H2,1-4H3,(H,21,26)
InChIKeyMRGGPJSOFPRBNF-UHFFFAOYSA-N
XLogP2.02
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide?
The IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide (CID 70707997) is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-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-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide?
The canonical SMILES for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide is CCn1nc(C)c(C(C)NC(=O)CCc2cc3n(n2)CCCNC3)c1C.
What is the InChIKey of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide?
The InChIKey is MRGGPJSOFPRBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-5-24-15(4)19(14(3)22-24)13(2)21-18(26)8-7-16-11-17-12-20-9-6-10-25(17)23-16/h11,13,20H,5-10,12H2,1-4H3,(H,21,26).
What are the key properties of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide?
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide has a molecular weight of 358.49 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide is sourced from PubChem (CID 70707997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).