1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine

C11H19N3O — CID 82834331

IUPAC1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCC1CCCO1
InChIInChI=1S/C11H19N3O/c1-8-11(9(2)14(3)13-8)12-7-10-5-4-6-15-10/h10,12H,4-7H2,1-3H3
InChIKeyKOPHJNMUQHBQBM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.63
Rot. Bonds3

About 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine

1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 82834331) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID82834331
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCC1CCCO1
InChIInChI=1S/C11H19N3O/c1-8-11(9(2)14(3)13-8)12-7-10-5-4-6-15-10/h10,12H,4-7H2,1-3H3
InChIKeyKOPHJNMUQHBQBM-UHFFFAOYSA-N
XLogP1.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2S)-oxolan-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 8538626
1-(oxolan-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 43180702
N-(oxolan-2-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63104701
1,3-dimethyl-4-nitro-N-(oxolan-2-ylmethyl)pyrazol-5-amine
CID 43554263
N-(oxolan-2-ylmethyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46990297
N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30479226
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 92750570
2-methyl-1-(oxolan-2-ylmethyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111137185
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124575654
1,3-dimethyl-5-(oxolan-2-ylmethylamino)-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one
CID 56725995
[3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105314270
N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105156786

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 82834331) is 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine is Cc1nn(C)c(C)c1NCC1CCCO1.
What is the InChIKey of 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is KOPHJNMUQHBQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-11(9(2)14(3)13-8)12-7-10-5-4-6-15-10/h10,12H,4-7H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine?
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 209.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 82834331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).