[1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine

C14H19N3 — CID 146194080

IUPAC[1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine
SMILESCC(C)c1ccccc1Cn1cc(CN)cn1
InChIInChI=1S/C14H19N3/c1-11(2)14-6-4-3-5-13(14)10-17-9-12(7-15)8-16-17/h3-6,8-9,11H,7,10,15H2,1-2H3
InChIKeyURNBHFJWPGMCQN-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.51
Rot. Bonds4

About [1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine

[1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine (PubChem CID 146194080) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine
PubChem CID146194080
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine
SMILESCC(C)c1ccccc1Cn1cc(CN)cn1
InChIInChI=1S/C14H19N3/c1-11(2)14-6-4-3-5-13(14)10-17-9-12(7-15)8-16-17/h3-6,8-9,11H,7,10,15H2,1-2H3
InChIKeyURNBHFJWPGMCQN-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-methylquinolin-4-yl)methyl]pyrazol-4-yl]methanamine
CID 79241282
(2-propan-2-ylphenyl)methanamine
CID 15040708
2-[2-[4-(aminomethyl)pyrazol-1-yl]-1-hydroxyethyl]phenol
CID 115039461
[1-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194795
[1-[[1-[(2-phenylphenyl)methyl]triazol-4-yl]methyl]pyrazol-4-yl]methanamine;dihydrochloride
CID 166420026
1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62731349
[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]methanamine
CID 106729373
CID 173166794
CID 173166794
[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194722
(1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 94575350
4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole
CID 62730927
[1-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methanamine
CID 146195107

Frequently Asked Questions

What is the IUPAC name of [1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine?
The IUPAC name of [1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine (CID 146194080) is [1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine is CC(C)c1ccccc1Cn1cc(CN)cn1.
What is the InChIKey of [1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine?
The InChIKey is URNBHFJWPGMCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(2)14-6-4-3-5-13(14)10-17-9-12(7-15)8-16-17/h3-6,8-9,11H,7,10,15H2,1-2H3.
What are the key properties of [1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine?
[1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 146194080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).