5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine

C14H19N3O — CID 82479094

IUPAC5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine
SMILESCc1[nH]nc(-c2ccc(OCC(C)C)cc2)c1N
InChIInChI=1S/C14H19N3O/c1-9(2)8-18-12-6-4-11(5-7-12)14-13(15)10(3)16-17-14/h4-7,9H,8,15H2,1-3H3,(H,16,17)
InChIKeyXEOSUTNNCPFVPN-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.00
Rot. Bonds4

About 5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine

5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine (PubChem CID 82479094) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine
PubChem CID82479094
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine
SMILESCc1[nH]nc(-c2ccc(OCC(C)C)cc2)c1N
InChIInChI=1S/C14H19N3O/c1-9(2)8-18-12-6-4-11(5-7-12)14-13(15)10(3)16-17-14/h4-7,9H,8,15H2,1-3H3,(H,16,17)
InChIKeyXEOSUTNNCPFVPN-UHFFFAOYSA-N
XLogP3.00
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine
CID 54847041
4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine
CID 61393233
ethyl 5-[4-(2-methylpropoxy)phenyl]-2H-triazole-4-carboxylate
CID 169399278
5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine
CID 42873937
6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine
CID 82293784
3-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82486720
4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine
CID 82192731
3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82118332
[5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
CID 95466695
2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851412
ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851374
2-[4-(2-methylpropoxy)phenyl]pyridine
CID 57293788

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine?
The IUPAC name of 5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine (CID 82479094) is 5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine?
The canonical SMILES for 5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine is Cc1[nH]nc(-c2ccc(OCC(C)C)cc2)c1N.
What is the InChIKey of 5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine?
The InChIKey is XEOSUTNNCPFVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(2)8-18-12-6-4-11(5-7-12)14-13(15)10(3)16-17-14/h4-7,9H,8,15H2,1-3H3,(H,16,17).
What are the key properties of 5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine?
5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 82479094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).