2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine

C14H19ClN4O — CID 79588486

IUPAC2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1nn(C)c(COc2cc(N(C)C)ccc2N)c1Cl
InChIInChI=1S/C14H19ClN4O/c1-9-14(15)12(19(4)17-9)8-20-13-7-10(18(2)3)5-6-11(13)16/h5-7H,8,16H2,1-4H3
InChIKeyQDJAFBJPXJTNBB-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.61
Rot. Bonds4

About 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine

2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 79588486) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID79588486
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1nn(C)c(COc2cc(N(C)C)ccc2N)c1Cl
InChIInChI=1S/C14H19ClN4O/c1-9-14(15)12(19(4)17-9)8-20-13-7-10(18(2)3)5-6-11(13)16/h5-7H,8,16H2,1-4H3
InChIKeyQDJAFBJPXJTNBB-UHFFFAOYSA-N
XLogP2.61
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-1,3-dimethylpyrazol-5-yl)methyl 4-amino-3-methoxybenzoate
CID 104784217
2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589077
2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589331
[4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-fluorophenyl]methanamine
CID 107686227
2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589158
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylbenzonitrile
CID 107663259
3-bromo-4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]benzenesulfonamide
CID 82912822
5-bromo-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]benzenecarbothioamide
CID 83146255
O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine
CID 79427033
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77103786
(1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 79025770
[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79156679

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 79588486) is 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine is Cc1nn(C)c(COc2cc(N(C)C)ccc2N)c1Cl.
What is the InChIKey of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is QDJAFBJPXJTNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-9-14(15)12(19(4)17-9)8-20-13-7-10(18(2)3)5-6-11(13)16/h5-7H,8,16H2,1-4H3.
What are the key properties of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 294.79 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 79588486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).