3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol

C14H27N3O — CID 83092687

IUPAC3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol
SMILESCn1cc(CNCC(C)(C)CO)c(C(C)(C)C)n1
InChIInChI=1S/C14H27N3O/c1-13(2,3)12-11(8-17(6)16-12)7-15-9-14(4,5)10-18/h8,15,18H,7,9-10H2,1-6H3
InChIKeyFAOJQXDHGJBKIN-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.83
Rot. Bonds5

About 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol

3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 83092687) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol
PubChem CID83092687
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol
SMILESCn1cc(CNCC(C)(C)CO)c(C(C)(C)C)n1
InChIInChI=1S/C14H27N3O/c1-13(2,3)12-11(8-17(6)16-12)7-15-9-14(4,5)10-18/h8,15,18H,7,9-10H2,1-6H3
InChIKeyFAOJQXDHGJBKIN-UHFFFAOYSA-N
XLogP1.83
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methanamine
CID 39869194
5-{[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]amino}-2,2-dimethylpentan-1-ol
CID 46994365
(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]butan-1-ol
CID 136581072
(3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine
CID 164643179
2-[5-(1,1-Difluoroethyl)-4-methylpyrazol-1-yl]ethanol
CID 123231287
2-(1,4-Dimethylpyrazol-5-yl)-2,2-difluoroethanol;ethane
CID 153599984
2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol
CID 166657282
2-Methyl-3-[4-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 168139783
1-[3-(2-Aminoethyl)-4-fluoropyrazol-1-yl]-2-methylpropan-1-ol
CID 175873155
1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711766
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 83082203
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 83082985

Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol (CID 83092687) is 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol is Cn1cc(CNCC(C)(C)CO)c(C(C)(C)C)n1.
What is the InChIKey of 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is FAOJQXDHGJBKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-13(2,3)12-11(8-17(6)16-12)7-15-9-14(4,5)10-18/h8,15,18H,7,9-10H2,1-6H3.
What are the key properties of 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol?
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 83092687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).