1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane

C9H19N3O — CID 178006220

IUPAC1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane
SMILESCC.CC(C)(O)Cn1cc(N)cn1
InChIInChI=1S/C7H13N3O.C2H6/c1-7(2,11)5-10-4-6(8)3-9-10;1-2/h3-4,11H,5,8H2,1-2H3;1-2H3
InChIKeyYXNWDQPMSCGPAT-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.26
Rot. Bonds2

About 1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane

1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane (PubChem CID 178006220) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane
PubChem CID178006220
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane
SMILESCC.CC(C)(O)Cn1cc(N)cn1
InChIInChI=1S/C7H13N3O.C2H6/c1-7(2,11)5-10-4-6(8)3-9-10;1-2/h3-4,11H,5,8H2,1-2H3;1-2H3
InChIKeyYXNWDQPMSCGPAT-UHFFFAOYSA-N
XLogP1.26
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(4-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxy-2-methylpentan-2-ol
CID 123446358
1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine
CID 19622841
1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane
CID 144607283
1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol
CID 83529434
1-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
CID 62721619
2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide
CID 90104259
ethane;1-(3-methoxypropyl)pyrazol-4-amine
CID 178006933
1-(2-ethylbutyl)pyrazol-4-amine
CID 56604384
1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine;dihydrochloride
CID 90484274
1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol
CID 165463377
2-(4-aminopyrazol-1-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 104758227
(3S)-4-(4-aminopyrazol-1-yl)-3-hydroxy-1-(4-isocyano-3-methylphenyl)-3-methylbutan-2-one
CID 147482281

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane (CID 178006220) is 1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane is CC.CC(C)(O)Cn1cc(N)cn1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane?
The InChIKey is YXNWDQPMSCGPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.C2H6/c1-7(2,11)5-10-4-6(8)3-9-10;1-2/h3-4,11H,5,8H2,1-2H3;1-2H3.
What are the key properties of 1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane?
1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane has a molecular weight of 185.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane is sourced from PubChem (CID 178006220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).