N-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C16H24N6O — CID 50981878

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(C)N1CCCn2nc(C(=O)NCCc3cnc[nH]3)cc2C1
InChIInChI=1S/C16H24N6O/c1-12(2)21-6-3-7-22-14(10-21)8-15(20-22)16(23)18-5-4-13-9-17-11-19-13/h8-9,11-12H,3-7,10H2,1-2H3,(H,17,19)(H,18,23)
InChIKeyNGMVNTCZYVLRNS-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.19
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 50981878) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID50981878
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(C)N1CCCn2nc(C(=O)NCCc3cnc[nH]3)cc2C1
InChIInChI=1S/C16H24N6O/c1-12(2)21-6-3-7-22-14(10-21)8-15(20-22)16(23)18-5-4-13-9-17-11-19-13/h8-9,11-12H,3-7,10H2,1-2H3,(H,17,19)(H,18,23)
InChIKeyNGMVNTCZYVLRNS-UHFFFAOYSA-N
XLogP1.19
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 50981878) is N-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CC(C)N1CCCn2nc(C(=O)NCCc3cnc[nH]3)cc2C1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is NGMVNTCZYVLRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-12(2)21-6-3-7-22-14(10-21)8-15(20-22)16(23)18-5-4-13-9-17-11-19-13/h8-9,11-12H,3-7,10H2,1-2H3,(H,17,19)(H,18,23).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 50981878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).