(1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine

C15H21N3O — CID 105170979

IUPAC(1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine
SMILESCc1c(C(N)c2ccccc2OC(C)C)cnn1C
InChIInChI=1S/C15H21N3O/c1-10(2)19-14-8-6-5-7-12(14)15(16)13-9-17-18(4)11(13)3/h5-10,15H,16H2,1-4H3
InChIKeySWUCTESCVARPQV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.56
Rot. Bonds4

About (1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine

(1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine (PubChem CID 105170979) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine
PubChem CID105170979
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine
SMILESCc1c(C(N)c2ccccc2OC(C)C)cnn1C
InChIInChI=1S/C15H21N3O/c1-10(2)19-14-8-6-5-7-12(14)15(16)13-9-17-18(4)11(13)3/h5-10,15H,16H2,1-4H3
InChIKeySWUCTESCVARPQV-UHFFFAOYSA-N
XLogP2.56
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine
CID 106692739
(2,6-dimethyl-4-pyridinyl)-(2-propan-2-yloxyphenyl)methanamine
CID 107503067
(2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018279
(1,5-dimethylpyrazol-4-yl)-naphthalen-2-ylmethanamine
CID 105141685
(4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018125
N-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine
CID 106757421
1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43751951
(4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018161
(2-bromo-3,4-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 107538588
(1,5-dimethylpyrazol-4-yl)-(2-ethylpyrazol-3-yl)methanamine
CID 105148404
(3-bromothiophen-2-yl)-(1,5-dimethylpyrazol-4-yl)methanamine
CID 105173057
(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 171231545

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine (CID 105170979) is (1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine is Cc1c(C(N)c2ccccc2OC(C)C)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine?
The InChIKey is SWUCTESCVARPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)19-14-8-6-5-7-12(14)15(16)13-9-17-18(4)11(13)3/h5-10,15H,16H2,1-4H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine?
(1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105170979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).