N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine

C16H23N3O — CID 124932358

IUPACN-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine
SMILESCC[C@@H](C)n1nccc1CNCc1ccc(OC)cc1
InChIInChI=1S/C16H23N3O/c1-4-13(2)19-15(9-10-18-19)12-17-11-14-5-7-16(20-3)8-6-14/h5-10,13,17H,4,11-12H2,1-3H3/t13-/m1/s1
InChIKeyYAAAXYSBEBKVMO-CYBMUJFWSA-N
MW273.38 g/mol
LogP3.15
Rot. Bonds7

About N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine

N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 124932358) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine
PubChem CID124932358
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine
SMILESCC[C@@H](C)n1nccc1CNCc1ccc(OC)cc1
InChIInChI=1S/C16H23N3O/c1-4-13(2)19-15(9-10-18-19)12-17-11-14-5-7-16(20-3)8-6-14/h5-10,13,17H,4,11-12H2,1-3H3/t13-/m1/s1
InChIKeyYAAAXYSBEBKVMO-CYBMUJFWSA-N
XLogP3.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 124932333
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 124932286
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 124932051
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967024
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine
CID 124932351
N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(3-methoxyphenyl)methanamine
CID 122168299
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
N,N-dimethyl-4-[[(2-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline
CID 122168246
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine
CID 122167258
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 124932342

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine (CID 124932358) is N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine is CC[C@@H](C)n1nccc1CNCc1ccc(OC)cc1.
What is the InChIKey of N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is YAAAXYSBEBKVMO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-13(2)19-15(9-10-18-19)12-17-11-14-5-7-16(20-3)8-6-14/h5-10,13,17H,4,11-12H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine?
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine has a molecular weight of 273.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 124932358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).