1-[3-(5-amino-2-oxo-1-pyridinyl)propyl]pyrazole-4-carboxamide

C12H15N5O2 — CID 64782744

IUPAC1-[3-(5-amino-2-oxo-1-pyridinyl)propyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(CCCn2cc(N)ccc2=O)c1
InChIInChI=1S/C12H15N5O2/c13-10-2-3-11(18)16(8-10)4-1-5-17-7-9(6-15-17)12(14)19/h2-3,6-8H,1,4-5,13H2,(H2,14,19)
InChIKeyHFOJHCGKISLKNT-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.18
Rot. Bonds5

About 1-[3-(5-amino-2-oxo-1-pyridinyl)propyl]pyrazole-4-carboxamide

1-[3-(5-amino-2-oxo-1-pyridinyl)propyl]pyrazole-4-carboxamide (PubChem CID 64782744) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-[3-(5-amino-2-oxo-1-pyridinyl)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-(5-amino-2-oxo-1-pyridinyl)propyl]pyrazole-4-carboxamide
PubChem CID64782744
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name1-[3-(5-amino-2-oxo-1-pyridinyl)propyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(CCCn2cc(N)ccc2=O)c1
InChIInChI=1S/C12H15N5O2/c13-10-2-3-11(18)16(8-10)4-1-5-17-7-9(6-15-17)12(14)19/h2-3,6-8H,1,4-5,13H2,(H2,14,19)
InChIKeyHFOJHCGKISLKNT-UHFFFAOYSA-N
XLogP-0.18
TPSA108.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-amino-2-oxo-1-pyridinyl)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[3-(5-amino-2-oxo-1-pyridinyl)propyl]pyrazole-4-carboxamide (CID 64782744) is 1-[3-(5-amino-2-oxo-1-pyridinyl)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[3-(5-amino-2-oxo-1-pyridinyl)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[3-(5-amino-2-oxo-1-pyridinyl)propyl]pyrazole-4-carboxamide is NC(=O)c1cnn(CCCn2cc(N)ccc2=O)c1.
What is the InChIKey of 1-[3-(5-amino-2-oxo-1-pyridinyl)propyl]pyrazole-4-carboxamide?
The InChIKey is HFOJHCGKISLKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c13-10-2-3-11(18)16(8-10)4-1-5-17-7-9(6-15-17)12(14)19/h2-3,6-8H,1,4-5,13H2,(H2,14,19).
What are the key properties of 1-[3-(5-amino-2-oxo-1-pyridinyl)propyl]pyrazole-4-carboxamide?
1-[3-(5-amino-2-oxo-1-pyridinyl)propyl]pyrazole-4-carboxamide has a molecular weight of 261.29 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-amino-2-oxo-1-pyridinyl)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 64782744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).