2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol

C13H17N3O — CID 112699473

IUPAC2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol
SMILESCC(CO)NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C13H17N3O/c1-11(10-17)14-9-12-4-2-5-13(8-12)16-7-3-6-15-16/h2-8,11,14,17H,9-10H2,1H3
InChIKeyQCXCOTRNDUMYGD-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.34
Rot. Bonds5

About 2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol

2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol (PubChem CID 112699473) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol
PubChem CID112699473
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol
SMILESCC(CO)NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C13H17N3O/c1-11(10-17)14-9-12-4-2-5-13(8-12)16-7-3-6-15-16/h2-8,11,14,17H,9-10H2,1H3
InChIKeyQCXCOTRNDUMYGD-UHFFFAOYSA-N
XLogP1.34
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
CID 65310420
(3-pyrazol-1-ylphenyl)methylazanium
CID 3258757
(3-pyrazol-1-ylphenyl)methanamine;hydrochloride
CID 52988138
(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
CID 114986461
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
1-[(4-chlorophenyl)methyl]-2-methyl-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111792129
N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine
CID 62488878
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 79170432
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
CID 62733351
(5R)-3-propan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95217301
2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol
CID 106752869

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol (CID 112699473) is 2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol is CC(CO)NCc1cccc(-n2cccn2)c1.
What is the InChIKey of 2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol?
The InChIKey is QCXCOTRNDUMYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-11(10-17)14-9-12-4-2-5-13(8-12)16-7-3-6-15-16/h2-8,11,14,17H,9-10H2,1H3.
What are the key properties of 2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol?
2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyrazol-1-ylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 112699473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).