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

C12H14N4O — CID 60508064

IUPACN-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide
SMILESCn1cc(NC(=O)CCc2ccncc2)cn1
InChIInChI=1S/C12H14N4O/c1-16-9-11(8-14-16)15-12(17)3-2-10-4-6-13-7-5-10/h4-9H,2-3H2,1H3,(H,15,17)
InChIKeyGJQUAKKJHQAGOG-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.39
Rot. Bonds4

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

N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide (PubChem CID 60508064) 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-4-ylpropanamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide
PubChem CID60508064
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide
SMILESCn1cc(NC(=O)CCc2ccncc2)cn1
InChIInChI=1S/C12H14N4O/c1-16-9-11(8-14-16)15-12(17)3-2-10-4-6-13-7-5-10/h4-9H,2-3H2,1H3,(H,15,17)
InChIKeyGJQUAKKJHQAGOG-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-3-ylpropanamide
CID 32605738
N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 47284219
4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide
CID 155981643
3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
CID 78905445
3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744
3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 95741142
3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide
CID 60849362
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454
N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35532642
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
CID 119871229
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 60527071
N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35531684

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide (CID 60508064) is N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide is Cn1cc(NC(=O)CCc2ccncc2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide?
The InChIKey is GJQUAKKJHQAGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16-9-11(8-14-16)15-12(17)3-2-10-4-6-13-7-5-10/h4-9H,2-3H2,1H3,(H,15,17).
What are the key properties of N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide?
N-(1-methylpyrazol-4-yl)-3-pyridin-4-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-4-ylpropanamide is sourced from PubChem (CID 60508064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).