2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol

C16H20FN3O — CID 111977150

IUPAC2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol
SMILESCC(CO)(NCc1cnn(-c2ccc(F)cc2)c1)C1CC1
InChIInChI=1S/C16H20FN3O/c1-16(11-21,13-2-3-13)18-8-12-9-19-20(10-12)15-6-4-14(17)5-7-15/h4-7,9-10,13,18,21H,2-3,8,11H2,1H3
InChIKeyVNBUSSHAJGLLSL-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.26
Rot. Bonds6

About 2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol

2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol (PubChem CID 111977150) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol
PubChem CID111977150
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol
SMILESCC(CO)(NCc1cnn(-c2ccc(F)cc2)c1)C1CC1
InChIInChI=1S/C16H20FN3O/c1-16(11-21,13-2-3-13)18-8-12-9-19-20(10-12)15-6-4-14(17)5-7-15/h4-7,9-10,13,18,21H,2-3,8,11H2,1H3
InChIKeyVNBUSSHAJGLLSL-UHFFFAOYSA-N
XLogP2.26
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-2-methylbutan-1-ol
CID 111440130
2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol
CID 111977174
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol
CID 111977142
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxamide
CID 110016360
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol
CID 110931852
2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol
CID 110931861
6-cyclopentyl-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70706737
(1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
CID 154818179
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97207538
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172664100
2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine
CID 83009169

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol (CID 111977150) is 2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol is CC(CO)(NCc1cnn(-c2ccc(F)cc2)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol?
The InChIKey is VNBUSSHAJGLLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-16(11-21,13-2-3-13)18-8-12-9-19-20(10-12)15-6-4-14(17)5-7-15/h4-7,9-10,13,18,21H,2-3,8,11H2,1H3.
What are the key properties of 2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol?
2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol has a molecular weight of 289.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol is sourced from PubChem (CID 111977150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).