4-chloro-3-propan-2-yl-1-propylpyrazole

C9H15ClN2 — CID 90195347

IUPAC4-chloro-3-propan-2-yl-1-propylpyrazole
SMILESCCCn1cc(Cl)c(C(C)C)n1
InChIInChI=1S/C9H15ClN2/c1-4-5-12-6-8(10)9(11-12)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyXNEIQLPEKWNJIV-UHFFFAOYSA-N
MW186.69 g/mol
LogP3.07
Rot. Bonds3

About 4-chloro-3-propan-2-yl-1-propylpyrazole

4-chloro-3-propan-2-yl-1-propylpyrazole (PubChem CID 90195347) has the molecular formula C9H15ClN2 and a molecular weight of 186.69 g/mol. Its IUPAC name is 4-chloro-3-propan-2-yl-1-propylpyrazole.

Molecular Properties

Compound Name4-chloro-3-propan-2-yl-1-propylpyrazole
PubChem CID90195347
Molecular FormulaC9H15ClN2
Molecular Weight186.69 g/mol
Exact Mass186.09
IUPAC Name4-chloro-3-propan-2-yl-1-propylpyrazole
SMILESCCCn1cc(Cl)c(C(C)C)n1
InChIInChI=1S/C9H15ClN2/c1-4-5-12-6-8(10)9(11-12)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyXNEIQLPEKWNJIV-UHFFFAOYSA-N
XLogP3.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.69
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-iodo-1-(4-methylpentyl)pyrazole
CID 83163220
3-chloro-1-ethyl-4-propan-2-ylpyrazole
CID 123789660
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
4-(chloromethyl)-3-methyl-1-propylpyrazole
CID 17272171
4-chloro-1-ethylpyrazol-3-amine
CID 19576739
3-(4-propan-2-ylphenyl)-1-propylpyrazole-4-carbaldehyde
CID 61266287
2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126965352
5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde
CID 61267063
2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid
CID 83879852
1-[2-chloro-4-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylethanamine
CID 82778974
4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572455
3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide
CID 113480784

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-propan-2-yl-1-propylpyrazole?
The IUPAC name of 4-chloro-3-propan-2-yl-1-propylpyrazole (CID 90195347) is 4-chloro-3-propan-2-yl-1-propylpyrazole.
What is the SMILES notation for 4-chloro-3-propan-2-yl-1-propylpyrazole?
The canonical SMILES for 4-chloro-3-propan-2-yl-1-propylpyrazole is CCCn1cc(Cl)c(C(C)C)n1.
What is the InChIKey of 4-chloro-3-propan-2-yl-1-propylpyrazole?
The InChIKey is XNEIQLPEKWNJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2/c1-4-5-12-6-8(10)9(11-12)7(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-chloro-3-propan-2-yl-1-propylpyrazole?
4-chloro-3-propan-2-yl-1-propylpyrazole has a molecular weight of 186.69 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-propan-2-yl-1-propylpyrazole is sourced from PubChem (CID 90195347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).