N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide

C16H22N4O — CID 74234825

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide
SMILESCc1cc(C)n(C(C)CNC(=O)CCc2ccncc2)n1
InChIInChI=1S/C16H22N4O/c1-12-10-13(2)20(19-12)14(3)11-18-16(21)5-4-15-6-8-17-9-7-15/h6-10,14H,4-5,11H2,1-3H3,(H,18,21)
InChIKeyZNRQDVZAQOCFBE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.20
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide

N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide (PubChem CID 74234825) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide
PubChem CID74234825
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide
SMILESCc1cc(C)n(C(C)CNC(=O)CCc2ccncc2)n1
InChIInChI=1S/C16H22N4O/c1-12-10-13(2)20(19-12)14(3)11-18-16(21)5-4-15-6-8-17-9-7-15/h6-10,14H,4-5,11H2,1-3H3,(H,18,21)
InChIKeyZNRQDVZAQOCFBE-UHFFFAOYSA-N
XLogP2.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421790
3-[4-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]propanoic acid
CID 119252268
N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide
CID 95125643
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 92603054
N-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide
CID 104593486
(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide
CID 92693207
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-thiophen-3-ylpropanamide
CID 94028959
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50974491
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
CID 99929818
N-[2-(2-hydroxyethyl)pentyl]-3-pyridin-4-ylpropanamide
CID 103722641
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide
CID 92602996
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 94028971

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide (CID 74234825) is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide is Cc1cc(C)n(C(C)CNC(=O)CCc2ccncc2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide?
The InChIKey is ZNRQDVZAQOCFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-10-13(2)20(19-12)14(3)11-18-16(21)5-4-15-6-8-17-9-7-15/h6-10,14H,4-5,11H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide?
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 74234825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).