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

C18H27N3O — CID 111118849

IUPAC1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1cn(-c2ccccc2)nc1C(C)C
InChIInChI=1S/C18H27N3O/c1-4-8-17(22)12-19-11-15-13-21(20-18(15)14(2)3)16-9-6-5-7-10-16/h5-7,9-10,13-14,17,19,22H,4,8,11-12H2,1-3H3
InChIKeyGZTCNGZGCBMOTO-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.25
Rot. Bonds8

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

1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol (PubChem CID 111118849) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol
PubChem CID111118849
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1cn(-c2ccccc2)nc1C(C)C
InChIInChI=1S/C18H27N3O/c1-4-8-17(22)12-19-11-15-13-21(20-18(15)14(2)3)16-9-6-5-7-10-16/h5-7,9-10,13-14,17,19,22H,4,8,11-12H2,1-3H3
InChIKeyGZTCNGZGCBMOTO-UHFFFAOYSA-N
XLogP3.25
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol
CID 111470664
1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol
CID 86903270
2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol
CID 110905987
N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 133380218
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(1-phenyl-3-propan-2-ylpyrazol-4-yl)methanamine
CID 86879760
4-(2,6-dimethylmorpholin-4-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine
CID 75493657
(2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol
CID 94871645
1-[(2R)-1,4-dithian-2-yl]-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 96535964
N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine
CID 71845500
4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 133380147
6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile
CID 133420123
2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid
CID 103268434

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol?
The IUPAC name of 1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol (CID 111118849) is 1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol?
The canonical SMILES for 1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol is CCCC(O)CNCc1cn(-c2ccccc2)nc1C(C)C.
What is the InChIKey of 1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol?
The InChIKey is GZTCNGZGCBMOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-4-8-17(22)12-19-11-15-13-21(20-18(15)14(2)3)16-9-6-5-7-10-16/h5-7,9-10,13-14,17,19,22H,4,8,11-12H2,1-3H3.
What are the key properties of 1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol?
1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol has a molecular weight of 301.43 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 111118849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).