1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine

C13H15N3 — CID 67710570

IUPAC1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
SMILESC/N=C/c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C13H15N3/c1-10-13(9-14-3)11(2)16(15-10)12-7-5-4-6-8-12/h4-9H,1-3H3/b14-9+
InChIKeyGQQXUCZQENKSMB-NTEUORMPSA-N
MW213.28 g/mol
LogP2.54
Rot. Bonds2

About 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine (PubChem CID 67710570) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
PubChem CID67710570
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
SMILESC/N=C/c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C13H15N3/c1-10-13(9-14-3)11(2)16(15-10)12-7-5-4-6-8-12/h4-9H,1-3H3/b14-9+
InChIKeyGQQXUCZQENKSMB-NTEUORMPSA-N
XLogP2.54
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole
CID 143867977
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]propanedinitrile
CID 3771083
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 169454458
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-prop-2-enylthiourea
CID 3660487
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine
CID 699347
(NE)-N-[[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methylidene]hydroxylamine
CID 25220563
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 75266589
N-[[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methylidene]hydroxylamine
CID 57368886
3-chloro-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]benzoic acid
CID 170524797
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3,5-dihydroxybenzamide
CID 17126791
(E,2Z)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxyiminobut-3-enoic acid
CID 10541113
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 4674116

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine?
The IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine (CID 67710570) is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine?
The canonical SMILES for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine is C/N=C/c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine?
The InChIKey is GQQXUCZQENKSMB-NTEUORMPSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-13(9-14-3)11(2)16(15-10)12-7-5-4-6-8-12/h4-9H,1-3H3/b14-9+.
What are the key properties of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine?
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine has a molecular weight of 213.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine is sourced from PubChem (CID 67710570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).