3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol

C19H29N3O — CID 111470664

IUPAC3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol
SMILESCC(C)c1nn(-c2ccccc2)cc1CNCC(C)(C)CCO
InChIInChI=1S/C19H29N3O/c1-15(2)18-16(12-20-14-19(3,4)10-11-23)13-22(21-18)17-8-6-5-7-9-17/h5-9,13,15,20,23H,10-12,14H2,1-4H3
InChIKeyHSOSYWWOLFGFTH-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.49
Rot. Bonds8

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

3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol (PubChem CID 111470664) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol
PubChem CID111470664
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol
SMILESCC(C)c1nn(-c2ccccc2)cc1CNCC(C)(C)CCO
InChIInChI=1S/C19H29N3O/c1-15(2)18-16(12-20-14-19(3,4)10-11-23)13-22(21-18)17-8-6-5-7-9-17/h5-9,13,15,20,23H,10-12,14H2,1-4H3
InChIKeyHSOSYWWOLFGFTH-UHFFFAOYSA-N
XLogP3.49
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol
CID 111118849
4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol
CID 75441181
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(1-phenyl-3-propan-2-ylpyrazol-4-yl)methanamine
CID 86879760
N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 133380218
2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol
CID 110905987
1-[(2R)-1,4-dithian-2-yl]-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 96535964
4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol
CID 106143200
N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine
CID 71845500
1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol
CID 86903270
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
4-[(1-benzylpyrazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 103708206

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol (CID 111470664) is 3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol is CC(C)c1nn(-c2ccccc2)cc1CNCC(C)(C)CCO.
What is the InChIKey of 3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol?
The InChIKey is HSOSYWWOLFGFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-15(2)18-16(12-20-14-19(3,4)10-11-23)13-22(21-18)17-8-6-5-7-9-17/h5-9,13,15,20,23H,10-12,14H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol?
3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol has a molecular weight of 315.46 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 111470664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).