N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C27H28N4O3 — CID 40794551

IUPACN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1
InChIInChI=1S/C27H28N4O3/c1-33-22-13-11-20(12-14-22)26-23(19-31(29-26)21-8-3-2-4-9-21)27(32)28-18-24(25-10-7-17-34-25)30-15-5-6-16-30/h2-4,7-14,17,19,24H,5-6,15-16,18H2,1H3,(H,28,32)/t24-/m0/s1
InChIKeyGCDLYDGCOUUXSB-DEOSSOPVSA-N
MW456.55 g/mol
LogP4.71
Rot. Bonds8

About N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 40794551) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID40794551
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1
InChIInChI=1S/C27H28N4O3/c1-33-22-13-11-20(12-14-22)26-23(19-31(29-26)21-8-3-2-4-9-21)27(32)28-18-24(25-10-7-17-34-25)30-15-5-6-16-30/h2-4,7-14,17,19,24H,5-6,15-16,18H2,1H3,(H,28,32)/t24-/m0/s1
InChIKeyGCDLYDGCOUUXSB-DEOSSOPVSA-N
XLogP4.71
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78867776
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 112765029
3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid
CID 154750619
3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 25479424
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 2475115
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200826
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]naphthalene-1-carboxamide
CID 26834307
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892299
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892301
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine
CID 111304485
3-(4-methoxyphenyl)-1-phenyl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 55647189

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 40794551) is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is GCDLYDGCOUUXSB-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-33-22-13-11-20(12-14-22)26-23(19-31(29-26)21-8-3-2-4-9-21)27(32)28-18-24(25-10-7-17-34-25)30-15-5-6-16-30/h2-4,7-14,17,19,24H,5-6,15-16,18H2,1H3,(H,28,32)/t24-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 40794551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).