(4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol

C15H26ClN3O — CID 114644567

IUPAC(4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol
SMILESCCCn1ncc(Cl)c1C(O)C1(N(C)C)CCCCC1
InChIInChI=1S/C15H26ClN3O/c1-4-10-19-13(12(16)11-17-19)14(20)15(18(2)3)8-6-5-7-9-15/h11,14,20H,4-10H2,1-3H3
InChIKeyARJGAJJXAFRUAM-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.24
Rot. Bonds5

About (4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol

(4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol (PubChem CID 114644567) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol
PubChem CID114644567
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol
SMILESCCCn1ncc(Cl)c1C(O)C1(N(C)C)CCCCC1
InChIInChI=1S/C15H26ClN3O/c1-4-10-19-13(12(16)11-17-19)14(20)15(18(2)3)8-6-5-7-9-15/h11,14,20H,4-10H2,1-3H3
InChIKeyARJGAJJXAFRUAM-UHFFFAOYSA-N
XLogP3.24
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-[1-(diethylamino)cyclopentyl]methanol
CID 114644534
1-[(4-chloro-1-propylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243209
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
CID 103459015
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114656983
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol
CID 103456755
(4-chloro-1-propylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661747
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 114657117
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 114657058
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835624
1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol
CID 114644612
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114658243

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol (CID 114644567) is (4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol is CCCn1ncc(Cl)c1C(O)C1(N(C)C)CCCCC1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol?
The InChIKey is ARJGAJJXAFRUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-4-10-19-13(12(16)11-17-19)14(20)15(18(2)3)8-6-5-7-9-15/h11,14,20H,4-10H2,1-3H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol?
(4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol has a molecular weight of 299.85 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol is sourced from PubChem (CID 114644567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).