4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole

C14H16ClN3 — CID 115053582

IUPAC4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole
SMILESCn1ncc(-c2ccc(Cl)cc2)c1C1CCNC1
InChIInChI=1S/C14H16ClN3/c1-18-14(11-6-7-16-8-11)13(9-17-18)10-2-4-12(15)5-3-10/h2-5,9,11,16H,6-8H2,1H3
InChIKeyDDAZMXQTNVRBJB-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.82
Rot. Bonds2

About 4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole

4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole (PubChem CID 115053582) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole
PubChem CID115053582
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole
SMILESCn1ncc(-c2ccc(Cl)cc2)c1C1CCNC1
InChIInChI=1S/C14H16ClN3/c1-18-14(11-6-7-16-8-11)13(9-17-18)10-2-4-12(15)5-3-10/h2-5,9,11,16H,6-8H2,1H3
InChIKeyDDAZMXQTNVRBJB-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

1,4-dimethyl-5-pyrrolidin-3-ylpyrazole
CID 82596920
[4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol
CID 89482659
1,5-dimethyl-4-pyrrolidin-3-ylpyrazole
CID 79583940
(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride
CID 71742220
3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine
CID 115053824
5-chloro-1,3-dimethyl-2-pyrrolidin-3-ylindole
CID 84633326
1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 115044405
4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine
CID 84607127
3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol
CID 115053842
4-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]piperidine
CID 115039346
4-(4-chlorophenyl)piperidine;ethane
CID 143751340
4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol
CID 115037744

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole?
The IUPAC name of 4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole (CID 115053582) is 4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole is Cn1ncc(-c2ccc(Cl)cc2)c1C1CCNC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole?
The InChIKey is DDAZMXQTNVRBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-18-14(11-6-7-16-8-11)13(9-17-18)10-2-4-12(15)5-3-10/h2-5,9,11,16H,6-8H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole?
4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole has a molecular weight of 261.76 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 115053582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).