N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

C18H24N4O2 — CID 110202465

IUPACN-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2CO)nn1C
InChIInChI=1S/C18H24N4O2/c1-13-8-16(20-21(13)2)18(24)19-17-11-22(10-15(17)12-23)9-14-6-4-3-5-7-14/h3-8,15,17,23H,9-12H2,1-2H3,(H,19,24)/t15-,17+/m0/s1
InChIKeyXWKYGMPBPYFISM-DOTOQJQBSA-N
MW328.42 g/mol
LogP0.95
Rot. Bonds5

About N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 110202465) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID110202465
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2CO)nn1C
InChIInChI=1S/C18H24N4O2/c1-13-8-16(20-21(13)2)18(24)19-17-11-22(10-15(17)12-23)9-14-6-4-3-5-7-14/h3-8,15,17,23H,9-12H2,1-2H3,(H,19,24)/t15-,17+/m0/s1
InChIKeyXWKYGMPBPYFISM-DOTOQJQBSA-N
XLogP0.95
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 110202465) is N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2CO)nn1C.
What is the InChIKey of N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is XWKYGMPBPYFISM-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-8-16(20-21(13)2)18(24)19-17-11-22(10-15(17)12-23)9-14-6-4-3-5-7-14/h3-8,15,17,23H,9-12H2,1-2H3,(H,19,24)/t15-,17+/m0/s1.
What are the key properties of N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 110202465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).