1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole

C14H16ClN3 — CID 115054113

IUPAC1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole
SMILESClc1ccccc1-n1cc(CC2CCCN2)cn1
InChIInChI=1S/C14H16ClN3/c15-13-5-1-2-6-14(13)18-10-11(9-17-18)8-12-4-3-7-16-12/h1-2,5-6,9-10,12,16H,3-4,7-8H2
InChIKeyDQCDYZGRJXJSHW-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.82
Rot. Bonds3

About 1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole

1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole (PubChem CID 115054113) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole
PubChem CID115054113
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole
SMILESClc1ccccc1-n1cc(CC2CCCN2)cn1
InChIInChI=1S/C14H16ClN3/c15-13-5-1-2-6-14(13)18-10-11(9-17-18)8-12-4-3-7-16-12/h1-2,5-6,9-10,12,16H,3-4,7-8H2
InChIKeyDQCDYZGRJXJSHW-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 115054112
3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol
CID 115054088
3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol
CID 115054072
1-[2-chloro-4-(pyrrolidin-2-ylmethyl)phenyl]-1,2,4-triazole
CID 117411512
1-tert-butyl-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 84734214
1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 93022446
1-propyl-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 103573721
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
5-(2-chlorophenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61365687
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84633647
2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine
CID 117447160

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole?
The IUPAC name of 1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole (CID 115054113) is 1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole?
The canonical SMILES for 1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole is Clc1ccccc1-n1cc(CC2CCCN2)cn1.
What is the InChIKey of 1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole?
The InChIKey is DQCDYZGRJXJSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-13-5-1-2-6-14(13)18-10-11(9-17-18)8-12-4-3-7-16-12/h1-2,5-6,9-10,12,16H,3-4,7-8H2.
What are the key properties of 1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole?
1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole has a molecular weight of 261.76 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole is sourced from PubChem (CID 115054113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).