[5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine

C14H19N3 — CID 105487158

IUPAC[5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine
SMILESCc1cccc(-c2c(CN)cnn2C(C)C)c1
InChIInChI=1S/C14H19N3/c1-10(2)17-14(13(8-15)9-16-17)12-6-4-5-11(3)7-12/h4-7,9-10H,8,15H2,1-3H3
InChIKeyNVGRUFOQKGCGHM-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.90
Rot. Bonds3

About [5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine

[5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine (PubChem CID 105487158) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine
PubChem CID105487158
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine
SMILESCc1cccc(-c2c(CN)cnn2C(C)C)c1
InChIInChI=1S/C14H19N3/c1-10(2)17-14(13(8-15)9-16-17)12-6-4-5-11(3)7-12/h4-7,9-10H,8,15H2,1-3H3
InChIKeyNVGRUFOQKGCGHM-UHFFFAOYSA-N
XLogP2.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 105469022
4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine
CID 115069507
[1,5-di(propan-2-yl)pyrazol-4-yl]methanamine
CID 66440927
(5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine
CID 115012224
[2-bromo-5-(3-methylphenyl)phenyl]methanamine
CID 115051058
[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine
CID 83819837
[3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine
CID 114244098
[1-(4-methylphenyl)-5-phenylpyrazol-4-yl]methanamine
CID 61367384
(1-tert-butyl-5-phenylpyrazol-4-yl)methanamine
CID 61368911
[4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine
CID 115049131
[4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine
CID 83893690
[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 112593445

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine?
The IUPAC name of [5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine (CID 105487158) is [5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine?
The canonical SMILES for [5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine is Cc1cccc(-c2c(CN)cnn2C(C)C)c1.
What is the InChIKey of [5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine?
The InChIKey is NVGRUFOQKGCGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)17-14(13(8-15)9-16-17)12-6-4-5-11(3)7-12/h4-7,9-10H,8,15H2,1-3H3.
What are the key properties of [5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine?
[5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine is sourced from PubChem (CID 105487158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).