3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide

C21H30N4O — CID 97434887

IUPAC3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide
SMILESCc1nn(CCC(N)=O)c(C)c1-c1ccc([C@H](C)N2CCCCC2)cc1
InChIInChI=1S/C21H30N4O/c1-15-21(17(3)25(23-15)14-11-20(22)26)19-9-7-18(8-10-19)16(2)24-12-5-4-6-13-24/h7-10,16H,4-6,11-14H2,1-3H3,(H2,22,26)/t16-/m0/s1
InChIKeyVWKHFAZAESJZKD-INIZCTEOSA-N
MW354.50 g/mol
LogP3.59
Rot. Bonds6

About 3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide

3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide (PubChem CID 97434887) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide
PubChem CID97434887
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide
SMILESCc1nn(CCC(N)=O)c(C)c1-c1ccc([C@H](C)N2CCCCC2)cc1
InChIInChI=1S/C21H30N4O/c1-15-21(17(3)25(23-15)14-11-20(22)26)19-9-7-18(8-10-19)16(2)24-12-5-4-6-13-24/h7-10,16H,4-6,11-14H2,1-3H3,(H2,22,26)/t16-/m0/s1
InChIKeyVWKHFAZAESJZKD-INIZCTEOSA-N
XLogP3.59
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[4-[(1R)-1-ethoxyethyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide
CID 97444692
1,3-dimethyl-4-[4-(1-piperidin-1-ylethyl)phenyl]pyrazole-5-carboxylic acid
CID 122568378
3-[4-[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-1-yl]propanamide
CID 122560382
3-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]propanoic acid
CID 82483431
2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
CID 126449078
1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine
CID 72914284
2-[4-(4-cyclopentylphenyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 72855522
6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid
CID 122559884
3,5-dimethyl-4-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-1,2-oxazole
CID 11702970
N-(3-amino-3-oxopropyl)-5-[4-(1-pyrrolidin-1-ylethyl)phenyl]naphthalene-2-carboxamide
CID 172666895
2-[3-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-1,2,4-triazol-1-yl]acetic acid
CID 125440785
1-[4-(1-pyrrolidin-1-ylethyl)phenyl]ethanamine;hydrochloride
CID 67217460

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide?
The IUPAC name of 3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide (CID 97434887) is 3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide is Cc1nn(CCC(N)=O)c(C)c1-c1ccc([C@H](C)N2CCCCC2)cc1.
What is the InChIKey of 3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide?
The InChIKey is VWKHFAZAESJZKD-INIZCTEOSA-N. The full InChI is InChI=1S/C21H30N4O/c1-15-21(17(3)25(23-15)14-11-20(22)26)19-9-7-18(8-10-19)16(2)24-12-5-4-6-13-24/h7-10,16H,4-6,11-14H2,1-3H3,(H2,22,26)/t16-/m0/s1.
What are the key properties of 3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide?
3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide has a molecular weight of 354.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyrazol-1-yl]propanamide is sourced from PubChem (CID 97434887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).