4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole

C14H17N3 — CID 115036269

IUPAC4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
SMILESc1ccc(-c2cn[nH]c2CC2CCNC2)cc1
InChIInChI=1S/C14H17N3/c1-2-4-12(5-3-1)13-10-16-17-14(13)8-11-6-7-15-9-11/h1-5,10-11,15H,6-9H2,(H,16,17)
InChIKeyCTBLHRPKMWMUQS-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.23
Rot. Bonds3

About 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole

4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole (PubChem CID 115036269) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
PubChem CID115036269
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
SMILESc1ccc(-c2cn[nH]c2CC2CCNC2)cc1
InChIInChI=1S/C14H17N3/c1-2-4-12(5-3-1)13-10-16-17-14(13)8-11-6-7-15-9-11/h1-5,10-11,15H,6-9H2,(H,16,17)
InChIKeyCTBLHRPKMWMUQS-UHFFFAOYSA-N
XLogP2.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole 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

4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
CID 115036737
1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 115044405
4-ethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 115015488
4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 115039845
4-phenyl-3-(piperidin-4-ylmethyl)pyridine
CID 115009267
4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 55113009
4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
CID 115054030
5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115036794
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
3-[(4-bromo-2-phenylphenoxy)methyl]pyrrolidine;hydrochloride
CID 56829708

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole?
The IUPAC name of 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole (CID 115036269) is 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole.
What is the SMILES notation for 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole?
The canonical SMILES for 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole is c1ccc(-c2cn[nH]c2CC2CCNC2)cc1.
What is the InChIKey of 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole?
The InChIKey is CTBLHRPKMWMUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-4-12(5-3-1)13-10-16-17-14(13)8-11-6-7-15-9-11/h1-5,10-11,15H,6-9H2,(H,16,17).
What are the key properties of 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole?
4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole has a molecular weight of 227.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole is sourced from PubChem (CID 115036269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).