N-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide

C22H30N4O — CID 70768592

IUPACN-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc([C@@H]2CN(Cc3c(C)nn(C)c3C)C[C@H]2NC(=O)C2CC2)cc1
InChIInChI=1S/C22H30N4O/c1-14-5-7-17(8-6-14)20-12-26(11-19-15(2)24-25(4)16(19)3)13-21(20)23-22(27)18-9-10-18/h5-8,18,20-21H,9-13H2,1-4H3,(H,23,27)/t20-,21+/m0/s1
InChIKeyHJIJORONAJGJEU-LEWJYISDSA-N
MW366.51 g/mol
LogP2.84
Rot. Bonds5

About N-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide

N-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 70768592) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID70768592
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc([C@@H]2CN(Cc3c(C)nn(C)c3C)C[C@H]2NC(=O)C2CC2)cc1
InChIInChI=1S/C22H30N4O/c1-14-5-7-17(8-6-14)20-12-26(11-19-15(2)24-25(4)16(19)3)13-21(20)23-22(27)18-9-10-18/h5-8,18,20-21H,9-13H2,1-4H3,(H,23,27)/t20-,21+/m0/s1
InChIKeyHJIJORONAJGJEU-LEWJYISDSA-N
XLogP2.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide 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

N-[(3S,4R)-1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70718143
N-[(3S,4R)-1-[(2-amino-3-pyridinyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70735174
N-[(3R,4S)-4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 46967360
N-[(3S,4R)-4-(4-methylphenyl)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70751647
N-[(3S,4R)-4-(4-methylphenyl)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70704487
N-[(3S,4R)-4-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70783659
N-[(3S,4R)-4-(4-methylphenyl)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70732368
N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 78989575
N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 164638014
N-[(3R,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 133128197
1-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105107419
(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123110

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide (CID 70768592) is N-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide is Cc1ccc([C@@H]2CN(Cc3c(C)nn(C)c3C)C[C@H]2NC(=O)C2CC2)cc1.
What is the InChIKey of N-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is HJIJORONAJGJEU-LEWJYISDSA-N. The full InChI is InChI=1S/C22H30N4O/c1-14-5-7-17(8-6-14)20-12-26(11-19-15(2)24-25(4)16(19)3)13-21(20)23-22(27)18-9-10-18/h5-8,18,20-21H,9-13H2,1-4H3,(H,23,27)/t20-,21+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 366.51 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(4-methylphenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 70768592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).