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

C14H17N3 — CID 55113009

IUPAC4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole
SMILESc1ccc(-c2cnn(CC3CCNC3)c2)cc1
InChIInChI=1S/C14H17N3/c1-2-4-13(5-3-1)14-9-16-17(11-14)10-12-6-7-15-8-12/h1-5,9,11-12,15H,6-8,10H2
InChIKeyRGYNCSCZATVLFP-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.16
Rot. Bonds3

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

4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole (PubChem CID 55113009) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole
PubChem CID55113009
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole
SMILESc1ccc(-c2cnn(CC3CCNC3)c2)cc1
InChIInChI=1S/C14H17N3/c1-2-4-13(5-3-1)14-9-16-17(11-14)10-12-6-7-15-8-12/h1-5,9,11-12,15H,6-8,10H2
InChIKeyRGYNCSCZATVLFP-UHFFFAOYSA-N
XLogP2.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine
CID 55113250
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 94408772
4-iodo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 165429519
3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine
CID 121214022
1-(azetidin-3-ylmethyl)-4-(4-bromophenyl)pyrazole
CID 84814984
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole;hydrochloride
CID 165429520
1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole
CID 84794344
1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole
CID 84791613
5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115036794
4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 84734901
(3S)-4-acetyl-3-methyl-7-[1-[[(3R)-pyrrolidin-3-yl]methyl]pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylic acid
CID 118079003
(3S)-3-[(4-iodopyrazol-1-yl)methyl]piperidine
CID 129369974

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole?
The IUPAC name of 4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole (CID 55113009) is 4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole.
What is the SMILES notation for 4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole?
The canonical SMILES for 4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole is c1ccc(-c2cnn(CC3CCNC3)c2)cc1.
What is the InChIKey of 4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole?
The InChIKey is RGYNCSCZATVLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-4-13(5-3-1)14-9-16-17(11-14)10-12-6-7-15-8-12/h1-5,9,11-12,15H,6-8,10H2.
What are the key properties of 4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole?
4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole has a molecular weight of 227.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole is sourced from PubChem (CID 55113009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).