4-[2-[4-(4-chlorophenyl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole

C16H17ClN4 — CID 118864330

IUPAC4-[2-[4-(4-chlorophenyl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CCn1cc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H17ClN4/c1-11-16(12(2)20-19-11)7-8-21-10-14(9-18-21)13-3-5-15(17)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
InChIKeyFKNGDDYLLFMSCD-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.79
Rot. Bonds4

About 4-[2-[4-(4-chlorophenyl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole

4-[2-[4-(4-chlorophenyl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole (PubChem CID 118864330) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-[2-[4-(4-chlorophenyl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[2-[4-(4-chlorophenyl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole
PubChem CID118864330
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name4-[2-[4-(4-chlorophenyl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CCn1cc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C16H17ClN4/c1-11-16(12(2)20-19-11)7-8-21-10-14(9-18-21)13-3-5-15(17)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
InChIKeyFKNGDDYLLFMSCD-UHFFFAOYSA-N
XLogP3.79
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chlorophenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9945516
4-(3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037400
4-(3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037512
4-[4-chloro-3-(difluoromethyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
CID 118864313
2-[4-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-6-methyl-pyridine
CID 10945492
N-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]-N-ethyl-2-(1H-pyrazol-1-yl)ethanamine
CID 16192057
N-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16192187
1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 25286593
4-(3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl)piperidine-1-sulfonamide
CID 46884635
N-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190883
3-[[4-[4-Chloro-3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole
CID 118864419
US10155727, Example 25
CID 118864153

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-chlorophenyl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[2-[4-(4-chlorophenyl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole (CID 118864330) is 4-[2-[4-(4-chlorophenyl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[2-[4-(4-chlorophenyl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[2-[4-(4-chlorophenyl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1CCn1cc(-c2ccc(Cl)cc2)cn1.
What is the InChIKey of 4-[2-[4-(4-chlorophenyl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole?
The InChIKey is FKNGDDYLLFMSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-11-16(12(2)20-19-11)7-8-21-10-14(9-18-21)13-3-5-15(17)6-4-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 4-[2-[4-(4-chlorophenyl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole?
4-[2-[4-(4-chlorophenyl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 300.79 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-chlorophenyl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 118864330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).