N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene

C20H19ClN6O2 — CID 171539298

IUPACN-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene
SMILESClc1ccccc1.NC(=O)CCNC(=O)c1cn[nH]c1-c1cccc2ccnn12
InChIInChI=1S/C14H14N6O2.C6H5Cl/c15-12(21)5-6-16-14(22)10-8-17-19-13(10)11-3-1-2-9-4-7-18-20(9)11;7-6-4-2-1-3-5-6/h1-4,7-8H,5-6H2,(H2,15,21)(H,16,22)(H,17,19);1-5H
InChIKeyNSPJVUZVTUWUBN-UHFFFAOYSA-N
MW410.87 g/mol
LogP2.67
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene

N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene (PubChem CID 171539298) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene
PubChem CID171539298
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC NameN-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene
SMILESClc1ccccc1.NC(=O)CCNC(=O)c1cn[nH]c1-c1cccc2ccnn12
InChIInChI=1S/C14H14N6O2.C6H5Cl/c15-12(21)5-6-16-14(22)10-8-17-19-13(10)11-3-1-2-9-4-7-18-20(9)11;7-6-4-2-1-3-5-6/h1-4,7-8H,5-6H2,(H2,15,21)(H,16,22)(H,17,19);1-5H
InChIKeyNSPJVUZVTUWUBN-UHFFFAOYSA-N
XLogP2.67
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540373
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CID 171540110
N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540349
N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide
CID 171539842
N-(3-amino-3-oxopropyl)-5-[2-(prop-2-enoylamino)ethynyl]-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171539175
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539134
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72913584
N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 155951273
2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid
CID 171539676
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
N-[4-(4-chloroanilino)-4-oxobutyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55944958

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene?
The IUPAC name of N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene (CID 171539298) is N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene?
The canonical SMILES for N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene is Clc1ccccc1.NC(=O)CCNC(=O)c1cn[nH]c1-c1cccc2ccnn12.
What is the InChIKey of N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene?
The InChIKey is NSPJVUZVTUWUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2.C6H5Cl/c15-12(21)5-6-16-14(22)10-8-17-19-13(10)11-3-1-2-9-4-7-18-20(9)11;7-6-4-2-1-3-5-6/h1-4,7-8H,5-6H2,(H2,15,21)(H,16,22)(H,17,19);1-5H.
What are the key properties of N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene?
N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene has a molecular weight of 410.87 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene is sourced from PubChem (CID 171539298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).