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

C19H23N7O — CID 70746150

IUPAC3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1cc2n(n1)CCCNC2)Nc1cccc(Cn2cncn2)c1
InChIInChI=1S/C19H23N7O/c27-19(6-5-17-10-18-11-20-7-2-8-26(18)24-17)23-16-4-1-3-15(9-16)12-25-14-21-13-22-25/h1,3-4,9-10,13-14,20H,2,5-8,11-12H2,(H,23,27)
InChIKeyVQSVSUAZAJRLDI-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.59
Rot. Bonds6

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

3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (PubChem CID 70746150) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
PubChem CID70746150
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1cc2n(n1)CCCNC2)Nc1cccc(Cn2cncn2)c1
InChIInChI=1S/C19H23N7O/c27-19(6-5-17-10-18-11-20-7-2-8-26(18)24-17)23-16-4-1-3-15(9-16)12-25-14-21-13-22-25/h1,3-4,9-10,13-14,20H,2,5-8,11-12H2,(H,23,27)
InChIKeyVQSVSUAZAJRLDI-UHFFFAOYSA-N
XLogP1.59
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119852249
4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 79205206
N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-2-carboxamide
CID 60944276
N-[(1-benzylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70711181
1-propan-2-yl-3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]urea
CID 47307477
2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934101
2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 61034736
N,N-dimethyl-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 176890096
4-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79209719
N-(3-methoxy-4-pyrrolidin-1-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
CID 154893708
(2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120939329
2-bromo-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 107904129

Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (CID 70746150) is 3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is O=C(CCc1cc2n(n1)CCCNC2)Nc1cccc(Cn2cncn2)c1.
What is the InChIKey of 3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is VQSVSUAZAJRLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c27-19(6-5-17-10-18-11-20-7-2-8-26(18)24-17)23-16-4-1-3-15(9-16)12-25-14-21-13-22-25/h1,3-4,9-10,13-14,20H,2,5-8,11-12H2,(H,23,27).
What are the key properties of 3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 365.44 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 70746150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).