N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide

C12H14N4O — CID 32605738

IUPACN-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
SMILESCn1cc(NC(=O)CCc2cccnc2)cn1
InChIInChI=1S/C12H14N4O/c1-16-9-11(8-14-16)15-12(17)5-4-10-3-2-6-13-7-10/h2-3,6-9H,4-5H2,1H3,(H,15,17)
InChIKeyPAANFFBAMJGQOI-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.39
Rot. Bonds4

About N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide

N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide (PubChem CID 32605738) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
PubChem CID32605738
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
SMILESCn1cc(NC(=O)CCc2cccnc2)cn1
InChIInChI=1S/C12H14N4O/c1-16-9-11(8-14-16)15-12(17)5-4-10-3-2-6-13-7-10/h2-3,6-9H,4-5H2,1H3,(H,15,17)
InChIKeyPAANFFBAMJGQOI-UHFFFAOYSA-N
XLogP1.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide
CID 60508064
1-methyl-N-(2-pyridin-3-ylethyl)pyrazol-4-amine
CID 79771016
N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 47284219
N-(4-iodophenyl)-3-pyridin-3-ylpropanamide
CID 9206675
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
CID 43358510
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide
CID 37294420
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide
CID 91773302
3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridin-3-ylpropanamide
CID 25349353
N-(3-hydroxy-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 47298670

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide (CID 32605738) is N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide is Cn1cc(NC(=O)CCc2cccnc2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide?
The InChIKey is PAANFFBAMJGQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16-9-11(8-14-16)15-12(17)5-4-10-3-2-6-13-7-10/h2-3,6-9H,4-5H2,1H3,(H,15,17).
What are the key properties of N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide?
N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide has a molecular weight of 230.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 32605738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).