1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine

C11H19N3O — CID 115777715

IUPAC1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine
SMILESCC(C)Cn1cc(NC2CCOC2)cn1
InChIInChI=1S/C11H19N3O/c1-9(2)6-14-7-11(5-12-14)13-10-3-4-15-8-10/h5,7,9-10,13H,3-4,6,8H2,1-2H3
InChIKeyDOLNNYOIPUTMCS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.74
Rot. Bonds4

About 1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine

1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine (PubChem CID 115777715) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine
PubChem CID115777715
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine
SMILESCC(C)Cn1cc(NC2CCOC2)cn1
InChIInChI=1S/C11H19N3O/c1-9(2)6-14-7-11(5-12-14)13-10-3-4-15-8-10/h5,7,9-10,13H,3-4,6,8H2,1-2H3
InChIKeyDOLNNYOIPUTMCS-UHFFFAOYSA-N
XLogP1.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine
CID 115777714
N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine
CID 62903541
(3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine
CID 97325385
1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine
CID 141333156
N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 65082002
N-(oxolan-3-ylmethyl)-1-propylpyrazol-4-amine
CID 115887965
N-(oxolan-3-yl)pyrimidin-5-amine
CID 83480544
N-cycloheptyl-1-ethylpyrazol-4-amine
CID 43543541
4-methyl-1-(2-methylpropyl)-N-(oxan-3-yl)imidazol-2-amine
CID 106573246
1-(1,1-dioxothiolan-3-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 154739659
4-[(1-ethylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 106593658
1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine
CID 54866641

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine?
The IUPAC name of 1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine (CID 115777715) is 1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine is CC(C)Cn1cc(NC2CCOC2)cn1.
What is the InChIKey of 1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine?
The InChIKey is DOLNNYOIPUTMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)6-14-7-11(5-12-14)13-10-3-4-15-8-10/h5,7,9-10,13H,3-4,6,8H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine?
1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine has a molecular weight of 209.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 115777715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).