1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine

C22H32N4 — CID 45174351

IUPAC1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine
SMILESCc1cc(CN2CCC(C3CCN(CCc4ccccc4)C3)CC2)n[nH]1
InChIInChI=1S/C22H32N4/c1-18-15-22(24-23-18)17-26-12-8-20(9-13-26)21-10-14-25(16-21)11-7-19-5-3-2-4-6-19/h2-6,15,20-21H,7-14,16-17H2,1H3,(H,23,24)
InChIKeySIBLJMHFCNXVDK-UHFFFAOYSA-N
MW352.53 g/mol
LogP3.49
Rot. Bonds6

About 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine

1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine (PubChem CID 45174351) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine
PubChem CID45174351
Molecular FormulaC22H32N4
Molecular Weight352.53 g/mol
Exact Mass352.26
IUPAC Name1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine
SMILESCc1cc(CN2CCC(C3CCN(CCc4ccccc4)C3)CC2)n[nH]1
InChIInChI=1S/C22H32N4/c1-18-15-22(24-23-18)17-26-12-8-20(9-13-26)21-10-14-25(16-21)11-7-19-5-3-2-4-6-19/h2-6,15,20-21H,7-14,16-17H2,1H3,(H,23,24)
InChIKeySIBLJMHFCNXVDK-UHFFFAOYSA-N
XLogP3.49
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine 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

Tolpiprazole
CID 3084338
1-Benzyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperidine
CID 10615437
4-(5-Cyclohexyl-1H-pyrazol-3-yl)-1-phenethyl-piperidine
CID 10520941
1-Benzyl-4-(5-methyl-1H-pyrazol-3-yl)-piperidine
CID 10587140
1-Benzyl-4-(5-benzyl-1H-pyrazol-3-yl)-piperidine
CID 10687967
1-Benzyl-4-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-piperidine
CID 44459463
1-methyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]piperazine
CID 127048915
2-(1-cyanopyrrolidin-3-ylidene)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
CID 141757233
5-Ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
CID 45265533
3,5-Dimethyl-4-[4-(2-pyrrolidinyl)phenyl]-1h-pyrazole
CID 137637598
N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)butan-1-amine
CID 10752767
4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 66490820

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine (CID 45174351) is 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine is Cc1cc(CN2CCC(C3CCN(CCc4ccccc4)C3)CC2)n[nH]1.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine?
The InChIKey is SIBLJMHFCNXVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4/c1-18-15-22(24-23-18)17-26-12-8-20(9-13-26)21-10-14-25(16-21)11-7-19-5-3-2-4-6-19/h2-6,15,20-21H,7-14,16-17H2,1H3,(H,23,24).
What are the key properties of 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine?
1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine has a molecular weight of 352.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine is sourced from PubChem (CID 45174351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).