(3R,4S)-N-[cyclopropyl-(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

C20H26N4O — CID 120932355

IUPAC(3R,4S)-N-[cyclopropyl-(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1C(NC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1)C1CC1
InChIInChI=1S/C20H26N4O/c1-13-5-3-4-6-16(13)19(14-7-8-14)23-20(25)18-11-21-10-17(18)15-9-22-24(2)12-15/h3-6,9,12,14,17-19,21H,7-8,10-11H2,1-2H3,(H,23,25)/t17-,18+,19?/m1/s1
InChIKeyOGCSYYQDRQGFOF-YTYFACEESA-N
MW338.46 g/mol
LogP2.30
Rot. Bonds5

About (3R,4S)-N-[cyclopropyl-(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

(3R,4S)-N-[cyclopropyl-(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 120932355) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (3R,4S)-N-[cyclopropyl-(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-[cyclopropyl-(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID120932355
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(3R,4S)-N-[cyclopropyl-(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1C(NC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1)C1CC1
InChIInChI=1S/C20H26N4O/c1-13-5-3-4-6-16(13)19(14-7-8-14)23-20(25)18-11-21-10-17(18)15-9-22-24(2)12-15/h3-6,9,12,14,17-19,21H,7-8,10-11H2,1-2H3,(H,23,25)/t17-,18+,19?/m1/s1
InChIKeyOGCSYYQDRQGFOF-YTYFACEESA-N
XLogP2.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-N-[1-(2-methylphenyl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918960
(3R,4S)-N-[cyclopropyl(phenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120920520
(3R,4S)-N-benzhydryl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917707
(3R,4S)-N-(2-methyl-1-phenylpropyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120919890
(3R,4S)-N-(2-amino-2-oxo-1-phenylethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120920557
(3R,4S)-N-(3-cyclohexylbutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120935798
(3R,4S)-N-(3-methyl-3-phenylbutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120929914
(3R,4S)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120926133
(3R,4S)-N-[(4-chlorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120919329
(3R,4S)-N-[2-(dimethylamino)-1-phenylethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120938260
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120936219
(3R,4S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120937275

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[cyclopropyl-(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-[cyclopropyl-(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 120932355) is (3R,4S)-N-[cyclopropyl-(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-[cyclopropyl-(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-[cyclopropyl-(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is Cc1ccccc1C(NC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1)C1CC1.
What is the InChIKey of (3R,4S)-N-[cyclopropyl-(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is OGCSYYQDRQGFOF-YTYFACEESA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-5-3-4-6-16(13)19(14-7-8-14)23-20(25)18-11-21-10-17(18)15-9-22-24(2)12-15/h3-6,9,12,14,17-19,21H,7-8,10-11H2,1-2H3,(H,23,25)/t17-,18+,19?/m1/s1.
What are the key properties of (3R,4S)-N-[cyclopropyl-(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
(3R,4S)-N-[cyclopropyl-(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[cyclopropyl-(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120932355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).