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

C15H19N3 — CID 115044405

IUPAC1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole
SMILESCn1ncc(-c2ccccc2)c1CC1CCNC1
InChIInChI=1S/C15H19N3/c1-18-15(9-12-7-8-16-10-12)14(11-17-18)13-5-3-2-4-6-13/h2-6,11-12,16H,7-10H2,1H3
InChIKeyMIXMCGDYNNRWIW-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.24
Rot. Bonds3

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

1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole (PubChem CID 115044405) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole
PubChem CID115044405
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole
SMILESCn1ncc(-c2ccccc2)c1CC1CCNC1
InChIInChI=1S/C15H19N3/c1-18-15(9-12-7-8-16-10-12)14(11-17-18)13-5-3-2-4-6-13/h2-6,11-12,16H,7-10H2,1H3
InChIKeyMIXMCGDYNNRWIW-UHFFFAOYSA-N
XLogP2.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 115036269
N-(1-methyl-4-phenylpyrazol-5-yl)-5-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 171711043
4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
CID 115036737
(1-methyl-4-phenylpyrazol-5-yl)methanol
CID 83383743
4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 55113009
2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine
CID 115053619
5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115036794
4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole
CID 115053582
4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole
CID 115053737
4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol
CID 115053624
1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole
CID 84692879
4-phenyl-3-(piperidin-4-ylmethyl)pyridine
CID 115009267

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole?
The IUPAC name of 1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole (CID 115044405) is 1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole.
What is the SMILES notation for 1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole?
The canonical SMILES for 1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole is Cn1ncc(-c2ccccc2)c1CC1CCNC1.
What is the InChIKey of 1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole?
The InChIKey is MIXMCGDYNNRWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-18-15(9-12-7-8-16-10-12)14(11-17-18)13-5-3-2-4-6-13/h2-6,11-12,16H,7-10H2,1H3.
What are the key properties of 1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole?
1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole has a molecular weight of 241.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole is sourced from PubChem (CID 115044405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).