2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline

C13H17N3 — CID 43663563

IUPAC2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
SMILESCc1cccc(NCc2cn[nH]c2C)c1C
InChIInChI=1S/C13H17N3/c1-9-5-4-6-13(10(9)2)14-7-12-8-15-16-11(12)3/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyJZSKKXKUWGDSEY-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.95
Rot. Bonds3

About 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline

2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline (PubChem CID 43663563) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
PubChem CID43663563
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
SMILESCc1cccc(NCc2cn[nH]c2C)c1C
InChIInChI=1S/C13H17N3/c1-9-5-4-6-13(10(9)2)14-7-12-8-15-16-11(12)3/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyJZSKKXKUWGDSEY-UHFFFAOYSA-N
XLogP2.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinolin-8-amine
CID 43663459
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 43694598
N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline
CID 13178310
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 43705914
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43663437
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43711706
2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663705
3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-4-amine
CID 79839401
4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 54865353
4-fluoro-2-iodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 79768914
2-iodo-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine
CID 66093758

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline (CID 43663563) is 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline is Cc1cccc(NCc2cn[nH]c2C)c1C.
What is the InChIKey of 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The InChIKey is JZSKKXKUWGDSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-5-4-6-13(10(9)2)14-7-12-8-15-16-11(12)3/h4-6,8,14H,7H2,1-3H3,(H,15,16).
What are the key properties of 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline has a molecular weight of 215.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 43663563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).