2-chloro-5-(1-propylpyrazol-4-yl)phenol

C12H13ClN2O — CID 83130316

IUPAC2-chloro-5-(1-propylpyrazol-4-yl)phenol
SMILESCCCn1cc(-c2ccc(Cl)c(O)c2)cn1
InChIInChI=1S/C12H13ClN2O/c1-2-5-15-8-10(7-14-15)9-3-4-11(13)12(16)6-9/h3-4,6-8,16H,2,5H2,1H3
InChIKeyKSXHWIYMXZDOJI-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.32
Rot. Bonds3

About 2-chloro-5-(1-propylpyrazol-4-yl)phenol

2-chloro-5-(1-propylpyrazol-4-yl)phenol (PubChem CID 83130316) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-chloro-5-(1-propylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-chloro-5-(1-propylpyrazol-4-yl)phenol
PubChem CID83130316
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-chloro-5-(1-propylpyrazol-4-yl)phenol
SMILESCCCn1cc(-c2ccc(Cl)c(O)c2)cn1
InChIInChI=1S/C12H13ClN2O/c1-2-5-15-8-10(7-14-15)9-3-4-11(13)12(16)6-9/h3-4,6-8,16H,2,5H2,1H3
InChIKeyKSXHWIYMXZDOJI-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(1-propylpyrazol-4-yl)phenol
CID 83130519
2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid
CID 166241060
4-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 104877313
2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol
CID 141204872
2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
CID 145062525
ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate
CID 175663715
7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 81224329
N-methylsulfanyl-3-(1-propylpyrazol-4-yl)aniline
CID 154687703
(3-bromo-4-chlorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 115566276
1-propyl-4-(1H-pyrazol-4-yl)pyrazole
CID 131201406
4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572472
1-[2-chloro-4-(1-ethylpyrazol-4-yl)phenyl]ethanamine
CID 82783612

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-propylpyrazol-4-yl)phenol?
The IUPAC name of 2-chloro-5-(1-propylpyrazol-4-yl)phenol (CID 83130316) is 2-chloro-5-(1-propylpyrazol-4-yl)phenol.
What is the SMILES notation for 2-chloro-5-(1-propylpyrazol-4-yl)phenol?
The canonical SMILES for 2-chloro-5-(1-propylpyrazol-4-yl)phenol is CCCn1cc(-c2ccc(Cl)c(O)c2)cn1.
What is the InChIKey of 2-chloro-5-(1-propylpyrazol-4-yl)phenol?
The InChIKey is KSXHWIYMXZDOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-5-15-8-10(7-14-15)9-3-4-11(13)12(16)6-9/h3-4,6-8,16H,2,5H2,1H3.
What are the key properties of 2-chloro-5-(1-propylpyrazol-4-yl)phenol?
2-chloro-5-(1-propylpyrazol-4-yl)phenol has a molecular weight of 236.70 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-propylpyrazol-4-yl)phenol is sourced from PubChem (CID 83130316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).