N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide

C21H26ClN3O2 — CID 170579534

IUPACN-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
SMILESCn1nccc1C1(O)CC(C(=O)NC(c2cccc(Cl)c2)C2CCCC2)C1
InChIInChI=1S/C21H26ClN3O2/c1-25-18(9-10-23-25)21(27)12-16(13-21)20(26)24-19(14-5-2-3-6-14)15-7-4-8-17(22)11-15/h4,7-11,14,16,19,27H,2-3,5-6,12-13H2,1H3,(H,24,26)
InChIKeyYIYWMACECNIWFW-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.72
Rot. Bonds5

About N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide

N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide (PubChem CID 170579534) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
PubChem CID170579534
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
SMILESCn1nccc1C1(O)CC(C(=O)NC(c2cccc(Cl)c2)C2CCCC2)C1
InChIInChI=1S/C21H26ClN3O2/c1-25-18(9-10-23-25)21(27)12-16(13-21)20(26)24-19(14-5-2-3-6-14)15-7-4-8-17(22)11-15/h4,7-11,14,16,19,27H,2-3,5-6,12-13H2,1H3,(H,24,26)
InChIKeyYIYWMACECNIWFW-UHFFFAOYSA-N
XLogP3.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide
CID 170578738
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide
CID 170580686
3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
CID 170580293
N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide
CID 170330258
N-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide
CID 127879522
(5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide
CID 170580436
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 170580700
N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 124610117
(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
CID 120795524
N-[(3-chlorophenyl)-cyclopentylmethyl]-7-[(5-cyano-2-pyridinyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide
CID 170579911
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide
CID 170580551

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide (CID 170579534) is N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide is Cn1nccc1C1(O)CC(C(=O)NC(c2cccc(Cl)c2)C2CCCC2)C1.
What is the InChIKey of N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide?
The InChIKey is YIYWMACECNIWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-25-18(9-10-23-25)21(27)12-16(13-21)20(26)24-19(14-5-2-3-6-14)15-7-4-8-17(22)11-15/h4,7-11,14,16,19,27H,2-3,5-6,12-13H2,1H3,(H,24,26).
What are the key properties of N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide?
N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 170579534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).