N-(2-cyanophenyl)-5-(1,4-diazepan-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H21N7O — CID 155274179

IUPACN-(2-cyanophenyl)-5-(1,4-diazepan-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1=C2N=C(N3CCCNCC3)C=CN2NC1
InChIInChI=1S/C19H21N7O/c20-12-14-4-1-2-5-16(14)23-19(27)15-13-22-26-10-6-17(24-18(15)26)25-9-3-7-21-8-11-25/h1-2,4-6,10,21-22H,3,7-9,11,13H2,(H,23,27)
InChIKeyDZFLUPZCUSSLCZ-UHFFFAOYSA-N
MW363.43 g/mol
LogP0.75
Rot. Bonds2

About N-(2-cyanophenyl)-5-(1,4-diazepan-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-cyanophenyl)-5-(1,4-diazepan-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155274179) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5-(1,4-diazepan-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5-(1,4-diazepan-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155274179
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN-(2-cyanophenyl)-5-(1,4-diazepan-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1=C2N=C(N3CCCNCC3)C=CN2NC1
InChIInChI=1S/C19H21N7O/c20-12-14-4-1-2-5-16(14)23-19(27)15-13-22-26-10-6-17(24-18(15)26)25-9-3-7-21-8-11-25/h1-2,4-6,10,21-22H,3,7-9,11,13H2,(H,23,27)
InChIKeyDZFLUPZCUSSLCZ-UHFFFAOYSA-N
XLogP0.75
TPSA95.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
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-(2-cyanophenyl)-5-(1,4-diazepan-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-5-(1,4-diazepan-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155274179) is N-(2-cyanophenyl)-5-(1,4-diazepan-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-5-(1,4-diazepan-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-5-(1,4-diazepan-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is N#Cc1ccccc1NC(=O)C1=C2N=C(N3CCCNCC3)C=CN2NC1.
What is the InChIKey of N-(2-cyanophenyl)-5-(1,4-diazepan-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DZFLUPZCUSSLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c20-12-14-4-1-2-5-16(14)23-19(27)15-13-22-26-10-6-17(24-18(15)26)25-9-3-7-21-8-11-25/h1-2,4-6,10,21-22H,3,7-9,11,13H2,(H,23,27).
What are the key properties of N-(2-cyanophenyl)-5-(1,4-diazepan-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-cyanophenyl)-5-(1,4-diazepan-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-5-(1,4-diazepan-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155274179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).