N-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide

C13H16N4O — CID 35325097

IUPACN-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)Nc2ncccc2C)n1
InChIInChI=1S/C13H16N4O/c1-3-8-17-9-6-11(16-17)13(18)15-12-10(2)5-4-7-14-12/h4-7,9H,3,8H2,1-2H3,(H,14,15,18)
InChIKeyUNXIONVRUFJVSH-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.25
Rot. Bonds4

About N-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide

N-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide (PubChem CID 35325097) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide
PubChem CID35325097
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)Nc2ncccc2C)n1
InChIInChI=1S/C13H16N4O/c1-3-8-17-9-6-11(16-17)13(18)15-12-10(2)5-4-7-14-12/h4-7,9H,3,8H2,1-2H3,(H,14,15,18)
InChIKeyUNXIONVRUFJVSH-UHFFFAOYSA-N
XLogP2.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide
CID 35534416
2-N,6-N-bis(3-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4216500
1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 35535185
N-(3-methyl-2-pyridinyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31903731
4-amino-1-ethyl-N-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 65359038
N-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide
CID 35325275
6-methyl-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46642959
methyl 1-propylpyrazole-3-carboxylate
CID 25247474
N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1108359
N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide
CID 52671364
1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 35325067
2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide (CID 35325097) is N-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide is CCCn1ccc(C(=O)Nc2ncccc2C)n1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide?
The InChIKey is UNXIONVRUFJVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-8-17-9-6-11(16-17)13(18)15-12-10(2)5-4-7-14-12/h4-7,9H,3,8H2,1-2H3,(H,14,15,18).
What are the key properties of N-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide?
N-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide is sourced from PubChem (CID 35325097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).