1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine

C19H21N3O — CID 110452887

IUPAC1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine
SMILESCC(C)Oc1ccccc1Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H21N3O/c1-15(2)23-19-11-7-6-10-18(19)21-17-12-20-22(14-17)13-16-8-4-3-5-9-16/h3-12,14-15,21H,13H2,1-2H3
InChIKeyACYCHMKTXWRGMG-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.46
Rot. Bonds6

About 1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine

1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine (PubChem CID 110452887) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine
PubChem CID110452887
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine
SMILESCC(C)Oc1ccccc1Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H21N3O/c1-15(2)23-19-11-7-6-10-18(19)21-17-12-20-22(14-17)13-16-8-4-3-5-9-16/h3-12,14-15,21H,13H2,1-2H3
InChIKeyACYCHMKTXWRGMG-UHFFFAOYSA-N
XLogP4.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
CID 82539768
3-[(1-benzylpyrazol-4-yl)amino]-4-methylbenzoic acid
CID 110452864
N-(1-benzylpyrazol-4-yl)pyridin-2-amine
CID 82537528
3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol
CID 65337518
N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109231733
1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine
CID 106757614
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine
CID 75451950
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine
CID 164643893

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine?
The IUPAC name of 1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine (CID 110452887) is 1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine?
The canonical SMILES for 1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine is CC(C)Oc1ccccc1Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine?
The InChIKey is ACYCHMKTXWRGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-15(2)23-19-11-7-6-10-18(19)21-17-12-20-22(14-17)13-16-8-4-3-5-9-16/h3-12,14-15,21H,13H2,1-2H3.
What are the key properties of 1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine?
1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine has a molecular weight of 307.40 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine is sourced from PubChem (CID 110452887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).