1-(2-methylphenyl)-3-(oxolan-3-yl)pyrazol-4-amine

C14H17N3O — CID 113483567

IUPAC1-(2-methylphenyl)-3-(oxolan-3-yl)pyrazol-4-amine
SMILESCc1ccccc1-n1cc(N)c(C2CCOC2)n1
InChIInChI=1S/C14H17N3O/c1-10-4-2-3-5-13(10)17-8-12(15)14(16-17)11-6-7-18-9-11/h2-5,8,11H,6-7,9,15H2,1H3
InChIKeyRQSNXKDZTAOFEA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.27
Rot. Bonds2

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

1-(2-methylphenyl)-3-(oxolan-3-yl)pyrazol-4-amine (PubChem CID 113483567) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(oxolan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(oxolan-3-yl)pyrazol-4-amine
PubChem CID113483567
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(2-methylphenyl)-3-(oxolan-3-yl)pyrazol-4-amine
SMILESCc1ccccc1-n1cc(N)c(C2CCOC2)n1
InChIInChI=1S/C14H17N3O/c1-10-4-2-3-5-13(10)17-8-12(15)14(16-17)11-6-7-18-9-11/h2-5,8,11H,6-7,9,15H2,1H3
InChIKeyRQSNXKDZTAOFEA-UHFFFAOYSA-N
XLogP2.27
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)pyrazol-4-amine
CID 113483578
3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine
CID 83222917
1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine
CID 83222763
1-[(4-bromophenyl)methyl]-3-(oxolan-3-yl)pyrazol-4-amine
CID 113483573
3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160516
2-(oxolan-3-yl)pyridine-3,4-diamine
CID 129239595
3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine
CID 83216271
1-methyl-4-(2-methylphenyl)-3-(oxan-4-yl)pyrazol-5-amine
CID 62905153
3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 83222334
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide
CID 56759420
3-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-amine
CID 83204322
1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide
CID 82733530

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(oxolan-3-yl)pyrazol-4-amine?
The IUPAC name of 1-(2-methylphenyl)-3-(oxolan-3-yl)pyrazol-4-amine (CID 113483567) is 1-(2-methylphenyl)-3-(oxolan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-methylphenyl)-3-(oxolan-3-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2-methylphenyl)-3-(oxolan-3-yl)pyrazol-4-amine is Cc1ccccc1-n1cc(N)c(C2CCOC2)n1.
What is the InChIKey of 1-(2-methylphenyl)-3-(oxolan-3-yl)pyrazol-4-amine?
The InChIKey is RQSNXKDZTAOFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-2-3-5-13(10)17-8-12(15)14(16-17)11-6-7-18-9-11/h2-5,8,11H,6-7,9,15H2,1H3.
What are the key properties of 1-(2-methylphenyl)-3-(oxolan-3-yl)pyrazol-4-amine?
1-(2-methylphenyl)-3-(oxolan-3-yl)pyrazol-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(oxolan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 113483567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).