4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide

C12H15N5O — CID 65355277

IUPAC4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCCc2cccnc2)n1
InChIInChI=1S/C12H15N5O/c1-17-8-10(13)11(16-17)12(18)15-6-4-9-3-2-5-14-7-9/h2-3,5,7-8H,4,6,13H2,1H3,(H,15,18)
InChIKeySCXWTJSVDWTVAA-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.37
Rot. Bonds4

About 4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide

4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide (PubChem CID 65355277) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
PubChem CID65355277
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCCc2cccnc2)n1
InChIInChI=1S/C12H15N5O/c1-17-8-10(13)11(16-17)12(18)15-6-4-9-3-2-5-14-7-9/h2-3,5,7-8H,4,6,13H2,1H3,(H,15,18)
InChIKeySCXWTJSVDWTVAA-UHFFFAOYSA-N
XLogP0.37
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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4-amino-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
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CID 65354090
1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
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2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide
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CID 62072665
5-amino-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 61290785
2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide
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4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide (CID 65355277) is 4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide is Cn1cc(N)c(C(=O)NCCc2cccnc2)n1.
What is the InChIKey of 4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide?
The InChIKey is SCXWTJSVDWTVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17-8-10(13)11(16-17)12(18)15-6-4-9-3-2-5-14-7-9/h2-3,5,7-8H,4,6,13H2,1H3,(H,15,18).
What are the key properties of 4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide?
4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 65355277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).