N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide

C18H23ClN4O — CID 125158880

IUPACN-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide
SMILESO=C(CCCn1cccn1)NC[C@@H]1CCN(c2cccc(Cl)c2)C1
InChIInChI=1S/C18H23ClN4O/c19-16-4-1-5-17(12-16)22-11-7-15(14-22)13-20-18(24)6-2-9-23-10-3-8-21-23/h1,3-5,8,10,12,15H,2,6-7,9,11,13-14H2,(H,20,24)/t15-/m0/s1
InChIKeyXFFMIOOEPAXCRC-HNNXBMFYSA-N
MW346.86 g/mol
LogP2.96
Rot. Bonds7

About N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide

N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide (PubChem CID 125158880) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide
PubChem CID125158880
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide
SMILESO=C(CCCn1cccn1)NC[C@@H]1CCN(c2cccc(Cl)c2)C1
InChIInChI=1S/C18H23ClN4O/c19-16-4-1-5-17(12-16)22-11-7-15(14-22)13-20-18(24)6-2-9-23-10-3-8-21-23/h1,3-5,8,10,12,15H,2,6-7,9,11,13-14H2,(H,20,24)/t15-/m0/s1
InChIKeyXFFMIOOEPAXCRC-HNNXBMFYSA-N
XLogP2.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide 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-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide
CID 110413858
N-[[1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131940270
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382297
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 109463105
4-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide
CID 110640326
N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide
CID 110640432
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide
CID 94814610
3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46453922
4-(3-chlorophenyl)-N'-methyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
CID 111186629
3-(2-chlorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 45196861
N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-5-hydroxypentanamide
CID 97255932

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide (CID 125158880) is N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide is O=C(CCCn1cccn1)NC[C@@H]1CCN(c2cccc(Cl)c2)C1.
What is the InChIKey of N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide?
The InChIKey is XFFMIOOEPAXCRC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c19-16-4-1-5-17(12-16)22-11-7-15(14-22)13-20-18(24)6-2-9-23-10-3-8-21-23/h1,3-5,8,10,12,15H,2,6-7,9,11,13-14H2,(H,20,24)/t15-/m0/s1.
What are the key properties of N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide?
N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide has a molecular weight of 346.86 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 125158880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).