N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine

C15H20ClN3 — CID 104591492

IUPACN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine
SMILESCc1nn(C)c(CNCC(C)c2ccccc2)c1Cl
InChIInChI=1S/C15H20ClN3/c1-11(13-7-5-4-6-8-13)9-17-10-14-15(16)12(2)18-19(14)3/h4-8,11,17H,9-10H2,1-3H3
InChIKeyUGARALXLEKPOTO-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.28
Rot. Bonds5

About N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine

N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine (PubChem CID 104591492) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine
PubChem CID104591492
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine
SMILESCc1nn(C)c(CNCC(C)c2ccccc2)c1Cl
InChIInChI=1S/C15H20ClN3/c1-11(13-7-5-4-6-8-13)9-17-10-14-15(16)12(2)18-19(14)3/h4-8,11,17H,9-10H2,1-3H3
InChIKeyUGARALXLEKPOTO-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81378218
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-methyl-1-phenylpropan-1-ol
CID 104846129
(1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 81352561
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79100007
1-methyl-5-[(2-phenylpropylamino)methyl]pyrazole-4-carboxylic acid
CID 116631545
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
N-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 115682110
methyl 2-chloro-3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]propanoate
CID 103491649
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 19626564
(1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347811
(1R)-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81408386
N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine
CID 106863140

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine (CID 104591492) is N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine is Cc1nn(C)c(CNCC(C)c2ccccc2)c1Cl.
What is the InChIKey of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine?
The InChIKey is UGARALXLEKPOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-11(13-7-5-4-6-8-13)9-17-10-14-15(16)12(2)18-19(14)3/h4-8,11,17H,9-10H2,1-3H3.
What are the key properties of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine?
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 104591492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).