4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline

C19H21N3 — CID 112839432

IUPAC4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline
SMILESCCc1ccc(NCc2cn[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21N3/c1-3-15-6-10-18(11-7-15)20-12-17-13-21-22-19(17)16-8-4-14(2)5-9-16/h4-11,13,20H,3,12H2,1-2H3,(H,21,22)
InChIKeyPRPWGVGAWYCDJA-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.56
Rot. Bonds5

About 4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline

4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline (PubChem CID 112839432) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline
PubChem CID112839432
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline
SMILESCCc1ccc(NCc2cn[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21N3/c1-3-15-6-10-18(11-7-15)20-12-17-13-21-22-19(17)16-8-4-14(2)5-9-16/h4-11,13,20H,3,12H2,1-2H3,(H,21,22)
InChIKeyPRPWGVGAWYCDJA-UHFFFAOYSA-N
XLogP4.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79485257
N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 126456890
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
4-ethylsulfonyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline
CID 68723068
2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine
CID 4213258
6-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 81498728
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;oxalic acid
CID 17461527
1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 6624841
5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 61395345
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
3,4-dichloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline
CID 68721703
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine
CID 131926386

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline?
The IUPAC name of 4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline (CID 112839432) is 4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline.
What is the SMILES notation for 4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline?
The canonical SMILES for 4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline is CCc1ccc(NCc2cn[nH]c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline?
The InChIKey is PRPWGVGAWYCDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-3-15-6-10-18(11-7-15)20-12-17-13-21-22-19(17)16-8-4-14(2)5-9-16/h4-11,13,20H,3,12H2,1-2H3,(H,21,22).
What are the key properties of 4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline?
4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline has a molecular weight of 291.40 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline is sourced from PubChem (CID 112839432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).