1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol

C16H22ClN3O — CID 110887880

IUPAC1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCC(O)CNCc1c(C(C)C)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C16H22ClN3O/c1-11(2)15-14(10-18-9-12(3)21)16(17)20(19-15)13-7-5-4-6-8-13/h4-8,11-12,18,21H,9-10H2,1-3H3
InChIKeyPZRVQVHNMUFKNE-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.12
Rot. Bonds6

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

1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 110887880) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
PubChem CID110887880
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCC(O)CNCc1c(C(C)C)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C16H22ClN3O/c1-11(2)15-14(10-18-9-12(3)21)16(17)20(19-15)13-7-5-4-6-8-13/h4-8,11-12,18,21H,9-10H2,1-3H3
InChIKeyPZRVQVHNMUFKNE-UHFFFAOYSA-N
XLogP3.12
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
CID 110906395
1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol
CID 111421573
[1-(4-bromophenyl)-5-chloro-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333647
[5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333662
(2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol
CID 9453079
(2S)-1-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]propan-2-ol
CID 124826116
(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
CID 117123429
1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol
CID 111118849
(2S)-1-(benzylamino)propan-2-ol
CID 964914
[5-chloro-3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 81254769
(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
CID 51684317
4-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]butan-2-ol
CID 111336633

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol (CID 110887880) is 1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol is CC(O)CNCc1c(C(C)C)nn(-c2ccccc2)c1Cl.
What is the InChIKey of 1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is PZRVQVHNMUFKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-11(2)15-14(10-18-9-12(3)21)16(17)20(19-15)13-7-5-4-6-8-13/h4-8,11-12,18,21H,9-10H2,1-3H3.
What are the key properties of 1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol?
1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 307.82 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 110887880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).