N-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine

C13H17N3 — CID 54847112

IUPACN-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCNCc1[nH]nc(-c2ccccc2)c1C
InChIInChI=1S/C13H17N3/c1-3-14-9-12-10(2)13(16-15-12)11-7-5-4-6-8-11/h4-8,14H,3,9H2,1-2H3,(H,15,16)
InChIKeyNFTCCJCCLCWVOW-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.49
Rot. Bonds4

About N-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine

N-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine (PubChem CID 54847112) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine
PubChem CID54847112
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCNCc1[nH]nc(-c2ccccc2)c1C
InChIInChI=1S/C13H17N3/c1-3-14-9-12-10(2)13(16-15-12)11-7-5-4-6-8-11/h4-8,14H,3,9H2,1-2H3,(H,15,16)
InChIKeyNFTCCJCCLCWVOW-UHFFFAOYSA-N
XLogP2.49
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 54847412
5-ethyl-4-methyl-3-phenyl-1H-pyrazole
CID 134439971
N-[[4-methyl-3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847084
1-(4-methylphenyl)-3-(4-methyl-3-phenyl-1H-pyrazol-5-yl)propan-1-one
CID 123887684
ethane;ethyl 4-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CID 171093697
[4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine
CID 83848092
4-ethyl-5-methyl-3-phenyl-1H-pyrazole
CID 118348621
5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile
CID 121212676
N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62543017
[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine
CID 83848218
N-[[5-methyl-3-(3-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 54850933
1-[3-(4-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine
CID 83850555

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine (CID 54847112) is N-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine is CCNCc1[nH]nc(-c2ccccc2)c1C.
What is the InChIKey of N-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine?
The InChIKey is NFTCCJCCLCWVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-14-9-12-10(2)13(16-15-12)11-7-5-4-6-8-11/h4-8,14H,3,9H2,1-2H3,(H,15,16).
What are the key properties of N-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine?
N-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-phenyl-1H-pyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 54847112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).