1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol

C12H21ClN2O — CID 114664972

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol
SMILESCCCn1ncc(Cl)c1CCC(O)C(C)C
InChIInChI=1S/C12H21ClN2O/c1-4-7-15-11(10(13)8-14-15)5-6-12(16)9(2)3/h8-9,12,16H,4-7H2,1-3H3
InChIKeyMTBZPPHRVXERHT-UHFFFAOYSA-N
MW244.77 g/mol
LogP2.90
Rot. Bonds6

About 1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol

1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol (PubChem CID 114664972) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol
PubChem CID114664972
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol
SMILESCCCn1ncc(Cl)c1CCC(O)C(C)C
InChIInChI=1S/C12H21ClN2O/c1-4-7-15-11(10(13)8-14-15)5-6-12(16)9(2)3/h8-9,12,16H,4-7H2,1-3H3
InChIKeyMTBZPPHRVXERHT-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine
CID 114662779
4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
CID 114665292
4-(4-chloro-1-methylpyrazol-5-yl)butan-2-ol
CID 114664884
1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one
CID 114663535
1-(4-chloro-1-ethylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
CID 114665007
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine
CID 114664429
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-4-methylpentan-3-amine
CID 114664314
1-(4-chloro-5-propylpyrazol-1-yl)propan-2-amine
CID 84776617
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylhexan-3-amine
CID 114664173
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol
CID 114664997
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]pentan-3-amine
CID 114663857

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol (CID 114664972) is 1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol is CCCn1ncc(Cl)c1CCC(O)C(C)C.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol?
The InChIKey is MTBZPPHRVXERHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O/c1-4-7-15-11(10(13)8-14-15)5-6-12(16)9(2)3/h8-9,12,16H,4-7H2,1-3H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol?
1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol has a molecular weight of 244.77 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-4-methylpentan-3-ol is sourced from PubChem (CID 114664972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).