(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine

C15H21N3 — CID 114986058

IUPAC(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1CN[C@H](C)c1ccccc1
InChIInChI=1S/C15H21N3/c1-3-11-18-15(9-10-17-18)12-16-13(2)14-7-5-4-6-8-14/h4-10,13,16H,3,11-12H2,1-2H3/t13-/m1/s1
InChIKeyWMFLYQZHPYRISS-CYBMUJFWSA-N
MW243.35 g/mol
LogP3.14
Rot. Bonds6

About (1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine

(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine (PubChem CID 114986058) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
PubChem CID114986058
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1CN[C@H](C)c1ccccc1
InChIInChI=1S/C15H21N3/c1-3-11-18-15(9-10-17-18)12-16-13(2)14-7-5-4-6-8-14/h4-10,13,16H,3,11-12H2,1-2H3/t13-/m1/s1
InChIKeyWMFLYQZHPYRISS-CYBMUJFWSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059
3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol
CID 114555438
1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114555894
(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
CID 107862266
1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114554830
N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 114554849
1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114555942
3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
CID 114555629
2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine
CID 81027473
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
(2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 107862442
4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555867

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine (CID 114986058) is (1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine is CCCn1nccc1CN[C@H](C)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is WMFLYQZHPYRISS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-11-18-15(9-10-17-18)12-16-13(2)14-7-5-4-6-8-14/h4-10,13,16H,3,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 114986058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).