1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol

C14H19ClN4O — CID 61416751

IUPAC1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol
SMILESCN(Cc1ccccc1Cl)CC(O)Cn1cc(N)cn1
InChIInChI=1S/C14H19ClN4O/c1-18(7-11-4-2-3-5-14(11)15)9-13(20)10-19-8-12(16)6-17-19/h2-6,8,13,20H,7,9-10,16H2,1H3
InChIKeyWRLSMUIDBGZSFP-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.61
Rot. Bonds6

About 1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol

1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol (PubChem CID 61416751) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol
PubChem CID61416751
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol
SMILESCN(Cc1ccccc1Cl)CC(O)Cn1cc(N)cn1
InChIInChI=1S/C14H19ClN4O/c1-18(7-11-4-2-3-5-14(11)15)9-13(20)10-19-8-12(16)6-17-19/h2-6,8,13,20H,7,9-10,16H2,1H3
InChIKeyWRLSMUIDBGZSFP-UHFFFAOYSA-N
XLogP1.61
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminopyrazol-1-yl)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 65483698
2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide
CID 43373776
1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol
CID 63982844
2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylacetamide
CID 43374449
1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol
CID 63233045
4-[(2-chlorophenyl)methyl-methylamino]-3-hydroxybutanoic acid
CID 82777064
1-(4-aminopyrazol-1-yl)-3-[methyl(oxan-4-yl)amino]propan-2-ol
CID 43610733
1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol
CID 103159801
1-[(2-chlorophenyl)methyl-methylamino]-3-(propylamino)propan-2-ol
CID 61416953
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol
CID 61416955
1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol
CID 83529434

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol (CID 61416751) is 1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol is CN(Cc1ccccc1Cl)CC(O)Cn1cc(N)cn1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol?
The InChIKey is WRLSMUIDBGZSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-18(7-11-4-2-3-5-14(11)15)9-13(20)10-19-8-12(16)6-17-19/h2-6,8,13,20H,7,9-10,16H2,1H3.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol has a molecular weight of 294.79 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 61416751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).