4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole

C15H18ClN3 — CID 115053737

IUPAC4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole
SMILESCn1ncc(-c2cccc(Cl)c2)c1CC1CCCN1
InChIInChI=1S/C15H18ClN3/c1-19-15(9-13-6-3-7-17-13)14(10-18-19)11-4-2-5-12(16)8-11/h2,4-5,8,10,13,17H,3,6-7,9H2,1H3
InChIKeyHGJMQBDUYSIMPI-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.04
Rot. Bonds3

About 4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole

4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole (PubChem CID 115053737) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole
PubChem CID115053737
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole
SMILESCn1ncc(-c2cccc(Cl)c2)c1CC1CCCN1
InChIInChI=1S/C15H18ClN3/c1-19-15(9-13-6-3-7-17-13)14(10-18-19)11-4-2-5-12(16)8-11/h2,4-5,8,10,13,17H,3,6-7,9H2,1H3
InChIKeyHGJMQBDUYSIMPI-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine
CID 115053619
4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol
CID 115053624
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine
CID 114662235
2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 115031695
1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole
CID 166362211
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119512036
1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 115044405
1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119512035
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole?
The IUPAC name of 4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole (CID 115053737) is 4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole.
What is the SMILES notation for 4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole?
The canonical SMILES for 4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole is Cn1ncc(-c2cccc(Cl)c2)c1CC1CCCN1.
What is the InChIKey of 4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole?
The InChIKey is HGJMQBDUYSIMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-19-15(9-13-6-3-7-17-13)14(10-18-19)11-4-2-5-12(16)8-11/h2,4-5,8,10,13,17H,3,6-7,9H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole?
4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole has a molecular weight of 275.78 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole is sourced from PubChem (CID 115053737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).