3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide

C12H15N5O2 — CID 64524894

IUPAC3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESCCCn1cc(NC(=O)c2cc(N)n[nH]2)ccc1=O
InChIInChI=1S/C12H15N5O2/c1-2-5-17-7-8(3-4-11(17)18)14-12(19)9-6-10(13)16-15-9/h3-4,6-7H,2,5H2,1H3,(H,14,19)(H3,13,15,16)
InChIKeyPCGPQEWMQHVBAL-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.82
Rot. Bonds4

About 3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide

3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide (PubChem CID 64524894) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide
PubChem CID64524894
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESCCCn1cc(NC(=O)c2cc(N)n[nH]2)ccc1=O
InChIInChI=1S/C12H15N5O2/c1-2-5-17-7-8(3-4-11(17)18)14-12(19)9-6-10(13)16-15-9/h3-4,6-7H,2,5H2,1H3,(H,14,19)(H3,13,15,16)
InChIKeyPCGPQEWMQHVBAL-UHFFFAOYSA-N
XLogP0.82
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 61103566
N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide
CID 47339542
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 61103364
2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 63680838
1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide
CID 107496780
6-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide
CID 63973346
2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 80973094
6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide
CID 47255260
2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 52658974
2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 62657037
1-amino-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 65465309
3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 103706931

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide (CID 64524894) is 3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide is CCCn1cc(NC(=O)c2cc(N)n[nH]2)ccc1=O.
What is the InChIKey of 3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PCGPQEWMQHVBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-2-5-17-7-8(3-4-11(17)18)14-12(19)9-6-10(13)16-15-9/h3-4,6-7H,2,5H2,1H3,(H,14,19)(H3,13,15,16).
What are the key properties of 3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide has a molecular weight of 261.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).