N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide

C12H13N5O2 — CID 171539842

IUPACN-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide
SMILESNC(=O)CCNC(=O)c1cn[nH]c1-c1ccncc1
InChIInChI=1S/C12H13N5O2/c13-10(18)3-6-15-12(19)9-7-16-17-11(9)8-1-4-14-5-2-8/h1-2,4-5,7H,3,6H2,(H2,13,18)(H,15,19)(H,16,17)
InChIKeyWIWCHSCXQBFXCL-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.08
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide

N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide (PubChem CID 171539842) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide
PubChem CID171539842
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide
SMILESNC(=O)CCNC(=O)c1cn[nH]c1-c1ccncc1
InChIInChI=1S/C12H13N5O2/c13-10(18)3-6-15-12(19)9-7-16-17-11(9)8-1-4-14-5-2-8/h1-2,4-5,7H,3,6H2,(H2,13,18)(H,15,19)(H,16,17)
InChIKeyWIWCHSCXQBFXCL-UHFFFAOYSA-N
XLogP0.08
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540373
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
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid
CID 171539676
N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171539298
N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 115620205
5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide
CID 72935188
N-(3-aminopropyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119405997
N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540349
N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81243085
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide
CID 86819624

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide (CID 171539842) is N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide is NC(=O)CCNC(=O)c1cn[nH]c1-c1ccncc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide?
The InChIKey is WIWCHSCXQBFXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c13-10(18)3-6-15-12(19)9-7-16-17-11(9)8-1-4-14-5-2-8/h1-2,4-5,7H,3,6H2,(H2,13,18)(H,15,19)(H,16,17).
What are the key properties of N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide?
N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 171539842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).