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

C12H15N5O — CID 115330467

IUPAC5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCc2cccnc2)c1N
InChIInChI=1S/C12H15N5O/c1-17-11(13)10(8-16-17)12(18)15-6-4-9-3-2-5-14-7-9/h2-3,5,7-8H,4,6,13H2,1H3,(H,15,18)
InChIKeyKHQWIVUMEAZXMW-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.37
Rot. Bonds4

About 5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide

5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide (PubChem CID 115330467) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
PubChem CID115330467
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCc2cccnc2)c1N
InChIInChI=1S/C12H15N5O/c1-17-11(13)10(8-16-17)12(18)15-6-4-9-3-2-5-14-7-9/h2-3,5,7-8H,4,6,13H2,1H3,(H,15,18)
InChIKeyKHQWIVUMEAZXMW-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

5-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 115330468
2-amino-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62072665
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
5-amino-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 61290785
5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 115330998
4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 65355277
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
1-(2-fluorophenyl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 39561723
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
5-amino-1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 113288594
5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 115330422
2-(methylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62180569

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide (CID 115330467) is 5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide is Cn1ncc(C(=O)NCCc2cccnc2)c1N.
What is the InChIKey of 5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The InChIKey is KHQWIVUMEAZXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17-11(13)10(8-16-17)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 5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide?
5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-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 5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 115330467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).