(2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide

C18H24N4O2 — CID 94031022

IUPAC(2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
SMILESCOc1cccc([C@@H]2CCCN2C(=O)N[C@H](C)Cn2cccn2)c1
InChIInChI=1S/C18H24N4O2/c1-14(13-21-10-5-9-19-21)20-18(23)22-11-4-8-17(22)15-6-3-7-16(12-15)24-2/h3,5-7,9-10,12,14,17H,4,8,11,13H2,1-2H3,(H,20,23)/t14-,17+/m1/s1
InChIKeyTWWVPFZRRICKIH-PBHICJAKSA-N
MW328.42 g/mol
LogP2.83
Rot. Bonds5

About (2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide

(2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 94031022) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
PubChem CID94031022
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
SMILESCOc1cccc([C@@H]2CCCN2C(=O)N[C@H](C)Cn2cccn2)c1
InChIInChI=1S/C18H24N4O2/c1-14(13-21-10-5-9-19-21)20-18(23)22-11-4-8-17(22)15-6-3-7-16(12-15)24-2/h3,5-7,9-10,12,14,17H,4,8,11,13H2,1-2H3,(H,20,23)/t14-,17+/m1/s1
InChIKeyTWWVPFZRRICKIH-PBHICJAKSA-N
XLogP2.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563058
1-(2-aminoethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68564802
1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]-1-(3-pyrrolidin-1-ylpropyl)urea
CID 68563892
1-[(3-methoxyphenyl)methyl]-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68564018
1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]-1-(2-pyrrolidin-1-ylethyl)urea
CID 68567556
[4-[(3-Phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
CID 123487724
1-(3-Methoxy-benzyl)-1H-pyrazol-4-ylamine
CID 6485350
N-methyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
CID 155517564
N-methyl-N-[2-[methyl-[(3-phenylmethoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
CID 155529475
N,4-dimethyl-N-[2-[methyl-[(3-phenoxyphenyl)methyl]amino]ethyl]pyrazole-1-carboxamide
CID 155537579
[4-[(3-Phenylmethoxyphenyl)methyl]-1,4-diazepan-1-yl]-pyrazol-1-ylmethanone
CID 155546199
[4-[(3-Phenoxyphenyl)methyl]-1,4-diazepan-1-yl]-pyrazol-1-ylmethanone
CID 155558286

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide (CID 94031022) is (2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide is COc1cccc([C@@H]2CCCN2C(=O)N[C@H](C)Cn2cccn2)c1.
What is the InChIKey of (2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is TWWVPFZRRICKIH-PBHICJAKSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(13-21-10-5-9-19-21)20-18(23)22-11-4-8-17(22)15-6-3-7-16(12-15)24-2/h3,5-7,9-10,12,14,17H,4,8,11,13H2,1-2H3,(H,20,23)/t14-,17+/m1/s1.
What are the key properties of (2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide?
(2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 94031022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).