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

C12H15N5O — CID 115330422

IUPAC5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1N)c1cccnc1
InChIInChI=1S/C12H15N5O/c1-8(9-4-3-5-14-6-9)16-12(18)10-7-15-17(2)11(10)13/h3-8H,13H2,1-2H3,(H,16,18)
InChIKeySXTRDHAOXVOGOP-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.89
Rot. Bonds3

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

5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide (PubChem CID 115330422) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide
PubChem CID115330422
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1N)c1cccnc1
InChIInChI=1S/C12H15N5O/c1-8(9-4-3-5-14-6-9)16-12(18)10-7-15-17(2)11(10)13/h3-8H,13H2,1-2H3,(H,16,18)
InChIKeySXTRDHAOXVOGOP-UHFFFAOYSA-N
XLogP0.89
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 81443089
4-amino-2-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 107794747
1,6-dimethyl-2-oxo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 125437332
1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 96567499
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 103891645
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 42889829
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2-amino-6-chloro-N-(1-pyridin-3-ylethyl)benzamide
CID 63660235

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide (CID 115330422) is 5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide is CC(NC(=O)c1cnn(C)c1N)c1cccnc1.
What is the InChIKey of 5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The InChIKey is SXTRDHAOXVOGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8(9-4-3-5-14-6-9)16-12(18)10-7-15-17(2)11(10)13/h3-8H,13H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide?
5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.89, 3 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-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 115330422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).