3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide

C15H20N4O — CID 92604845

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C15H20N4O/c1-10(13-6-8-16-9-7-13)17-15(20)5-4-14-11(2)18-19-12(14)3/h6-10H,4-5H2,1-3H3,(H,17,20)(H,18,19)/t10-/m0/s1
InChIKeyBHTQRGITLOBKPO-JTQLQIEISA-N
MW272.35 g/mol
LogP2.23
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide (PubChem CID 92604845) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
PubChem CID92604845
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C15H20N4O/c1-10(13-6-8-16-9-7-13)17-15(20)5-4-14-11(2)18-19-12(14)3/h6-10H,4-5H2,1-3H3,(H,17,20)(H,18,19)/t10-/m0/s1
InChIKeyBHTQRGITLOBKPO-JTQLQIEISA-N
XLogP2.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 110685607
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 78808574
5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 81405502
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81410608
3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 94149516
3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34761975
5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 82016946
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 35355755
2-(4-methylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17168099

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide (CID 92604845) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide is Cc1n[nH]c(C)c1CCC(=O)N[C@@H](C)c1ccncc1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The InChIKey is BHTQRGITLOBKPO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(13-6-8-16-9-7-13)17-15(20)5-4-14-11(2)18-19-12(14)3/h6-10H,4-5H2,1-3H3,(H,17,20)(H,18,19)/t10-/m0/s1.
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide is sourced from PubChem (CID 92604845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).