1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol

C14H18ClN3O — CID 111421573

IUPAC1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCC(O)CNCc1c(-c2ccccc2)nn(C)c1Cl
InChIInChI=1S/C14H18ClN3O/c1-10(19)8-16-9-12-13(17-18(2)14(12)15)11-6-4-3-5-7-11/h3-7,10,16,19H,8-9H2,1-2H3
InChIKeyAMKSBZYIZAHHLK-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.21
Rot. Bonds5

About 1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol

1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 111421573) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol
PubChem CID111421573
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCC(O)CNCc1c(-c2ccccc2)nn(C)c1Cl
InChIInChI=1S/C14H18ClN3O/c1-10(19)8-16-9-12-13(17-18(2)14(12)15)11-6-4-3-5-7-11/h3-7,10,16,19H,8-9H2,1-2H3
InChIKeyAMKSBZYIZAHHLK-UHFFFAOYSA-N
XLogP2.21
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol (CID 111421573) is 1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol is CC(O)CNCc1c(-c2ccccc2)nn(C)c1Cl.
What is the InChIKey of 1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is AMKSBZYIZAHHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10(19)8-16-9-12-13(17-18(2)14(12)15)11-6-4-3-5-7-11/h3-7,10,16,19H,8-9H2,1-2H3.
What are the key properties of 1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol?
1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 279.77 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 111421573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).