N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

C17H21N3O3S — CID 131928132

IUPACN-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCS(=O)(=O)CCC(=O)N(Cc1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C17H21N3O3S/c1-24(22,23)10-9-17(21)19(15-7-8-15)12-14-11-18-20(13-14)16-5-3-2-4-6-16/h2-6,11,13,15H,7-10,12H2,1H3
InChIKeyJLMHMRUZAKLFEF-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.80
Rot. Bonds7

About N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (PubChem CID 131928132) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
PubChem CID131928132
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCS(=O)(=O)CCC(=O)N(Cc1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C17H21N3O3S/c1-24(22,23)10-9-17(21)19(15-7-8-15)12-14-11-18-20(13-14)16-5-3-2-4-6-16/h2-6,11,13,15H,7-10,12H2,1H3
InChIKeyJLMHMRUZAKLFEF-UHFFFAOYSA-N
XLogP1.80
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 131902906
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35367805
(E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide
CID 146098115
N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 95333196
1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 55793583
N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 30039620
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 33083677
N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950882
3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530213
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 21174664
(E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 38271246

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (CID 131928132) is N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is CS(=O)(=O)CCC(=O)N(Cc1cnn(-c2ccccc2)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The InChIKey is JLMHMRUZAKLFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-24(22,23)10-9-17(21)19(15-7-8-15)12-14-11-18-20(13-14)16-5-3-2-4-6-16/h2-6,11,13,15H,7-10,12H2,1H3.
What are the key properties of N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide has a molecular weight of 347.44 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 131928132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).