6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol

C13H22ClN3O — CID 64809657

IUPAC6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol
SMILESCC(CO)(CCCCn1cc(Cl)cn1)NC1CC1
InChIInChI=1S/C13H22ClN3O/c1-13(10-18,16-12-4-5-12)6-2-3-7-17-9-11(14)8-15-17/h8-9,12,16,18H,2-7,10H2,1H3
InChIKeyVNDXQALGTRXUGI-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.21
Rot. Bonds8

About 6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol

6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol (PubChem CID 64809657) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol
PubChem CID64809657
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol
SMILESCC(CO)(CCCCn1cc(Cl)cn1)NC1CC1
InChIInChI=1S/C13H22ClN3O/c1-13(10-18,16-12-4-5-12)6-2-3-7-17-9-11(14)8-15-17/h8-9,12,16,18H,2-7,10H2,1H3
InChIKeyVNDXQALGTRXUGI-UHFFFAOYSA-N
XLogP2.21
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64810706
5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64811965
6-(4-chloropyrazol-1-yl)-2,2-dimethylhexanoic acid
CID 106714172
2-(cyclopropylamino)-2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 104604822
2-methyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentan-1-ol
CID 64808818
2-methyl-2-(methylamino)-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
CID 64811507
N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
CID 19330222
3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide
CID 19570325
2-(cyclopropylamino)-2-methyl-5-pyrrolidin-1-ylpentan-1-ol
CID 64798628
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
2-(cyclopropylamino)-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol
CID 66369677
2-(cyclopropylamino)-5-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol
CID 64809678

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol?
The IUPAC name of 6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol (CID 64809657) is 6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol.
What is the SMILES notation for 6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol?
The canonical SMILES for 6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol is CC(CO)(CCCCn1cc(Cl)cn1)NC1CC1.
What is the InChIKey of 6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol?
The InChIKey is VNDXQALGTRXUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-13(10-18,16-12-4-5-12)6-2-3-7-17-9-11(14)8-15-17/h8-9,12,16,18H,2-7,10H2,1H3.
What are the key properties of 6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol?
6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexan-1-ol is sourced from PubChem (CID 64809657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).