N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide

C27H32N4O3 — CID 42741285

IUPACN-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CN(C(=O)C2CCCC2)C(C)C)cc1
InChIInChI=1S/C27H32N4O3/c1-19(2)30(27(33)21-11-7-8-12-21)18-26(32)28-25-17-24(20-9-5-4-6-10-20)29-31(25)22-13-15-23(34-3)16-14-22/h4-6,9-10,13-17,19,21H,7-8,11-12,18H2,1-3H3,(H,28,32)
InChIKeyQBGICPRNEOXNNV-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.91
Rot. Bonds8

About N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide

N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide (PubChem CID 42741285) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
PubChem CID42741285
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC NameN-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CN(C(=O)C2CCCC2)C(C)C)cc1
InChIInChI=1S/C27H32N4O3/c1-19(2)30(27(33)21-11-7-8-12-21)18-26(32)28-25-17-24(20-9-5-4-6-10-20)29-31(25)22-13-15-23(34-3)16-14-22/h4-6,9-10,13-17,19,21H,7-8,11-12,18H2,1-3H3,(H,28,32)
InChIKeyQBGICPRNEOXNNV-UHFFFAOYSA-N
XLogP4.91
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 42732455
N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclobutanecarboxamide
CID 42740892
2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 42741085
N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 42741282
4-tert-butyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3899691
2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide
CID 4302893
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42731978
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
CID 42732235
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 1060914
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 1052090
N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-methyl-3-nitro-N-propan-2-ylbenzamide
CID 1060910
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 4590423

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide?
The IUPAC name of N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide (CID 42741285) is N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide.
What is the SMILES notation for N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide?
The canonical SMILES for N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide is COc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CN(C(=O)C2CCCC2)C(C)C)cc1.
What is the InChIKey of N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide?
The InChIKey is QBGICPRNEOXNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-19(2)30(27(33)21-11-7-8-12-21)18-26(32)28-25-17-24(20-9-5-4-6-10-20)29-31(25)22-13-15-23(34-3)16-14-22/h4-6,9-10,13-17,19,21H,7-8,11-12,18H2,1-3H3,(H,28,32).
What are the key properties of N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide?
N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide has a molecular weight of 460.58 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide is sourced from PubChem (CID 42741285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).