(3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine

C14H19N3 — CID 114197621

IUPAC(3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
SMILESCc1cccc(C(N)c2ccnn2C(C)C)c1
InChIInChI=1S/C14H19N3/c1-10(2)17-13(7-8-16-17)14(15)12-6-4-5-11(3)9-12/h4-10,14H,15H2,1-3H3
InChIKeyZXVKHTCIPCZNQM-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.82
Rot. Bonds3

About (3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine

(3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine (PubChem CID 114197621) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
PubChem CID114197621
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
SMILESCc1cccc(C(N)c2ccnn2C(C)C)c1
InChIInChI=1S/C14H19N3/c1-10(2)17-13(7-8-16-17)14(15)12-6-4-5-11(3)9-12/h4-10,14H,15H2,1-3H3
InChIKeyZXVKHTCIPCZNQM-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330491
(2-chloro-4-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 114198024
(2,4-dichlorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 114198042
2-amino-1-(2-propan-2-ylpyrazol-3-yl)propan-1-ol
CID 112709526
(3-methylphenyl)-pyridazin-4-ylmethanamine
CID 105090632
(3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963062
[3-(2-methylpropyl)phenyl]-(2-methylpyrazol-3-yl)methanamine
CID 105188165
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503
(3-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115789988
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine?
The IUPAC name of (3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine (CID 114197621) is (3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine.
What is the SMILES notation for (3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine?
The canonical SMILES for (3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine is Cc1cccc(C(N)c2ccnn2C(C)C)c1.
What is the InChIKey of (3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine?
The InChIKey is ZXVKHTCIPCZNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)17-13(7-8-16-17)14(15)12-6-4-5-11(3)9-12/h4-10,14H,15H2,1-3H3.
What are the key properties of (3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine?
(3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine is sourced from PubChem (CID 114197621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).