2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C18H23ClN4O — CID 97333993

IUPAC2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C18H23ClN4O/c1-11-17(12(2)23-22-11)21-16(24)10-20-18(13-4-3-5-13)14-6-8-15(19)9-7-14/h6-9,13,18,20H,3-5,10H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyHPSSAYKOTDTQJO-SFHVURJKSA-N
MW346.86 g/mol
LogP3.75
Rot. Bonds6

About 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 97333993) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID97333993
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C18H23ClN4O/c1-11-17(12(2)23-22-11)21-16(24)10-20-18(13-4-3-5-13)14-6-8-15(19)9-7-14/h6-9,13,18,20H,3-5,10H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyHPSSAYKOTDTQJO-SFHVURJKSA-N
XLogP3.75
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
CID 43226371
2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539
2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95312814
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol
CID 97333995
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 43397481
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]acetamide
CID 9113461
N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide
CID 56827234
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 112841277
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79552053
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615
2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 97334834
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 78762696

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 97333993) is 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1.
What is the InChIKey of 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is HPSSAYKOTDTQJO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-11-17(12(2)23-22-11)21-16(24)10-20-18(13-4-3-5-13)14-6-8-15(19)9-7-14/h6-9,13,18,20H,3-5,10H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1.
What are the key properties of 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 346.86 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 97333993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).