N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine

C14H19N3 — CID 122166030

IUPACN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine
SMILESCCn1ncc(C)c1CNCc1ccccc1
InChIInChI=1S/C14H19N3/c1-3-17-14(12(2)9-16-17)11-15-10-13-7-5-4-6-8-13/h4-9,15H,3,10-11H2,1-2H3
InChIKeyOOJZKGMUEDFJQM-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.50
Rot. Bonds5

About N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine

N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine (PubChem CID 122166030) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine
PubChem CID122166030
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine
SMILESCCn1ncc(C)c1CNCc1ccccc1
InChIInChI=1S/C14H19N3/c1-3-17-14(12(2)9-16-17)11-15-10-13-7-5-4-6-8-13/h4-9,15H,3,10-11H2,1-2H3
InChIKeyOOJZKGMUEDFJQM-UHFFFAOYSA-N
XLogP2.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 122167107
2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol
CID 122166019
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122167100
N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride
CID 126964810
1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine
CID 122167116
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine
CID 122166024
1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine
CID 122167136
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride
CID 126964300
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 19618954
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627475
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124932035

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine (CID 122166030) is N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine is CCn1ncc(C)c1CNCc1ccccc1.
What is the InChIKey of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine?
The InChIKey is OOJZKGMUEDFJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-17-14(12(2)9-16-17)11-15-10-13-7-5-4-6-8-13/h4-9,15H,3,10-11H2,1-2H3.
What are the key properties of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine?
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 122166030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).