(3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

C23H32N4O2 — CID 120928365

IUPAC(3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCC1CCCC(OCc2cccc(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)c2)C1
InChIInChI=1S/C23H32N4O2/c1-16-5-3-8-20(9-16)29-15-17-6-4-7-19(10-17)26-23(28)22-13-24-12-21(22)18-11-25-27(2)14-18/h4,6-7,10-11,14,16,20-22,24H,3,5,8-9,12-13,15H2,1-2H3,(H,26,28)/t16?,20?,21-,22+/m1/s1
InChIKeyHBYLUJHSNUVEFD-YMHUVUNGSA-N
MW396.54 g/mol
LogP3.46
Rot. Bonds6

About (3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

(3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 120928365) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is (3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID120928365
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name(3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCC1CCCC(OCc2cccc(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)c2)C1
InChIInChI=1S/C23H32N4O2/c1-16-5-3-8-20(9-16)29-15-17-6-4-7-19(10-17)26-23(28)22-13-24-12-21(22)18-11-25-27(2)14-18/h4,6-7,10-11,14,16,20-22,24H,3,5,8-9,12-13,15H2,1-2H3,(H,26,28)/t16?,20?,21-,22+/m1/s1
InChIKeyHBYLUJHSNUVEFD-YMHUVUNGSA-N
XLogP3.46
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[3-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]phenyl]methylsulfanyl]acetate;hydrochloride
CID 120931269
(3R,4S)-N-(3-acetamidophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917163
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306626
2-hydroxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 75437260
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 120939332
(3R,4S)-N-(4-cyclohexyloxyphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120933779
1-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 97023278
ethyl 3-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]benzoate;hydrochloride
CID 120919798
2-(cyclopropylmethylamino)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 119754463
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]azepane-1-carboxamide
CID 71883147
(3R,4S)-N-[[3-(2-methylbutanoylamino)phenyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120923349
2-tert-butylsulfanyl-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 60599967

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 120928365) is (3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is CC1CCCC(OCc2cccc(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)c2)C1.
What is the InChIKey of (3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is HBYLUJHSNUVEFD-YMHUVUNGSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16-5-3-8-20(9-16)29-15-17-6-4-7-19(10-17)26-23(28)22-13-24-12-21(22)18-11-25-27(2)14-18/h4,6-7,10-11,14,16,20-22,24H,3,5,8-9,12-13,15H2,1-2H3,(H,26,28)/t16?,20?,21-,22+/m1/s1.
What are the key properties of (3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
(3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120928365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).