4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol

C15H20ClN3O — CID 111469646

IUPAC4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H20ClN3O/c1-12(6-7-20)8-17-9-13-10-18-19(11-13)15-4-2-14(16)3-5-15/h2-5,10-12,17,20H,6-9H2,1H3
InChIKeyHYUYERWQENHQEE-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.63
Rot. Bonds7

About 4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol

4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol (PubChem CID 111469646) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
PubChem CID111469646
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H20ClN3O/c1-12(6-7-20)8-17-9-13-10-18-19(11-13)15-4-2-14(16)3-5-15/h2-5,10-12,17,20H,6-9H2,1H3
InChIKeyHYUYERWQENHQEE-UHFFFAOYSA-N
XLogP2.63
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111581092
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methylhexanamide
CID 86968262
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol
CID 110931852
(1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine
CID 94193067
4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089910
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111794356
4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol
CID 103631647
4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962517
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine;hydroiodide
CID 109409605
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440570
N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]ethanamine
CID 60958392
3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol
CID 66398795

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol (CID 111469646) is 4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol is CC(CCO)CNCc1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol?
The InChIKey is HYUYERWQENHQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-12(6-7-20)8-17-9-13-10-18-19(11-13)15-4-2-14(16)3-5-15/h2-5,10-12,17,20H,6-9H2,1H3.
What are the key properties of 4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol?
4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol has a molecular weight of 293.80 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 111469646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).