4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole

C15H19N3 — CID 115053743

IUPAC4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole
SMILESCc1ccccc1-c1cn[nH]c1CC1CCCN1
InChIInChI=1S/C15H19N3/c1-11-5-2-3-7-13(11)14-10-17-18-15(14)9-12-6-4-8-16-12/h2-3,5,7,10,12,16H,4,6,8-9H2,1H3,(H,17,18)
InChIKeyVPEBUKYBCYMTSH-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.68
Rot. Bonds3

About 4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole

4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole (PubChem CID 115053743) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole
PubChem CID115053743
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole
SMILESCc1ccccc1-c1cn[nH]c1CC1CCCN1
InChIInChI=1S/C15H19N3/c1-11-5-2-3-7-13(11)14-10-17-18-15(14)9-12-6-4-8-16-12/h2-3,5,7,10,12,16H,4,6,8-9H2,1H3,(H,17,18)
InChIKeyVPEBUKYBCYMTSH-UHFFFAOYSA-N
XLogP2.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61363930
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
[4-(2-methylphenyl)-1H-pyrazol-5-yl]methanol
CID 105422819
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-[(4-cyclopentyl-1H-pyrazol-5-yl)methyl]piperidine
CID 115039853
2-methyl-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 105423639
3-methyl-2-(piperidin-2-ylmethyl)pyridine
CID 4715233
2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 117327912
N,N,3-trimethyl-2-(pyrrolidin-2-ylmethyl)aniline
CID 117118272
2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
CID 84778649
4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 112679327
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole?
The IUPAC name of 4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole (CID 115053743) is 4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole.
What is the SMILES notation for 4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole?
The canonical SMILES for 4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole is Cc1ccccc1-c1cn[nH]c1CC1CCCN1.
What is the InChIKey of 4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole?
The InChIKey is VPEBUKYBCYMTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-5-2-3-7-13(11)14-10-17-18-15(14)9-12-6-4-8-16-12/h2-3,5,7,10,12,16H,4,6,8-9H2,1H3,(H,17,18).
What are the key properties of 4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole?
4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole has a molecular weight of 241.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1H-pyrazole is sourced from PubChem (CID 115053743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).