N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide

C18H23N5O — CID 118747075

IUPACN-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
SMILESO=C(NCC1CC1)C1CN(Cc2ccncc2)Cc2ccnn2C1
InChIInChI=1S/C18H23N5O/c24-18(20-9-14-1-2-14)16-11-22(10-15-3-6-19-7-4-15)13-17-5-8-21-23(17)12-16/h3-8,14,16H,1-2,9-13H2,(H,20,24)
InChIKeyVEIHCAFALHYKDJ-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.44
Rot. Bonds5

About N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide

N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide (PubChem CID 118747075) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
PubChem CID118747075
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
SMILESO=C(NCC1CC1)C1CN(Cc2ccncc2)Cc2ccnn2C1
InChIInChI=1S/C18H23N5O/c24-18(20-9-14-1-2-14)16-11-22(10-15-3-6-19-7-4-15)13-17-5-8-21-23(17)12-16/h3-8,14,16H,1-2,9-13H2,(H,20,24)
InChIKeyVEIHCAFALHYKDJ-UHFFFAOYSA-N
XLogP1.44
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-2-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309885
N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309715
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 46887107
N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5307455
(1S,11S)-14-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)-2,9,14-triazabicyclo[9.4.0]pentadecan-10-one
CID 110202041
1-{4-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl}-3-(pyridin-4-yl)propan-1-one
CID 53619245
US9763922, Example 42
CID 138805952
2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 35335313
2-(4-methylpyrazol-1-yl)-N-propyl-N-(2-pyridin-2-ylethyl)acetamide
CID 49030630
5-isopropyl-N-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50952632
1-[2-(4-Fluorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-pyridin-3-ylethanone
CID 53186311

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide (CID 118747075) is N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide is O=C(NCC1CC1)C1CN(Cc2ccncc2)Cc2ccnn2C1.
What is the InChIKey of N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The InChIKey is VEIHCAFALHYKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18(20-9-14-1-2-14)16-11-22(10-15-3-6-19-7-4-15)13-17-5-8-21-23(17)12-16/h3-8,14,16H,1-2,9-13H2,(H,20,24).
What are the key properties of N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide is sourced from PubChem (CID 118747075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).