(1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine

C12H15N3 — CID 93389562

IUPAC(1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine
SMILESC[C@H](NCc1ccccc1)c1ccn[nH]1
InChIInChI=1S/C12H15N3/c1-10(12-7-8-14-15-12)13-9-11-5-3-2-4-6-11/h2-8,10,13H,9H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyKQGLAUZGLZGSGA-JTQLQIEISA-N
MW201.27 g/mol
LogP2.26
Rot. Bonds4

About (1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine

(1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine (PubChem CID 93389562) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine
PubChem CID93389562
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name(1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine
SMILESC[C@H](NCc1ccccc1)c1ccn[nH]1
InChIInChI=1S/C12H15N3/c1-10(12-7-8-14-15-12)13-9-11-5-3-2-4-6-11/h2-8,10,13H,9H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyKQGLAUZGLZGSGA-JTQLQIEISA-N
XLogP2.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(furan-3-ylmethyl)-1-(1H-pyrazol-5-yl)ethanamine
CID 115641749
1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 63247743
3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine
CID 62380024
1-(1H-pyrazol-5-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60971301
N-[(5-methylfuran-2-yl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 62522793
N-[(2,4-difluorophenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 62223624
4-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]phenol
CID 61237634
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 103291840
N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine
CID 60973145
N-benzyl-1-(1H-imidazol-2-yl)ethanamine
CID 22398694
(2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol
CID 107862495
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061

Frequently Asked Questions

What is the IUPAC name of (1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine?
The IUPAC name of (1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine (CID 93389562) is (1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for (1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine is C[C@H](NCc1ccccc1)c1ccn[nH]1.
What is the InChIKey of (1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine?
The InChIKey is KQGLAUZGLZGSGA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N3/c1-10(12-7-8-14-15-12)13-9-11-5-3-2-4-6-11/h2-8,10,13H,9H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine?
(1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine has a molecular weight of 201.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 93389562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).