3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine

C15H22N4 — CID 115376804

IUPAC3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
SMILESCc1ccc(NC(C)c2cnn(C)c2)cc1N(C)C
InChIInChI=1S/C15H22N4/c1-11-6-7-14(8-15(11)18(3)4)17-12(2)13-9-16-19(5)10-13/h6-10,12,17H,1-5H3
InChIKeyWRRRIPBMMRNHPL-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.97
Rot. Bonds4

About 3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine

3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine (PubChem CID 115376804) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
PubChem CID115376804
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
SMILESCc1ccc(NC(C)c2cnn(C)c2)cc1N(C)C
InChIInChI=1S/C15H22N4/c1-11-6-7-14(8-15(11)18(3)4)17-12(2)13-9-16-19(5)10-13/h6-10,12,17H,1-5H3
InChIKeyWRRRIPBMMRNHPL-UHFFFAOYSA-N
XLogP2.97
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine
CID 115376862
3-N,3-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzene-1,3-diamine
CID 115376869
4-[1-(1-methylpyrazol-4-yl)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 65484543
4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114286357
3-[(2S)-butan-2-yl]oxy-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]aniline
CID 129367586
3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine
CID 115377201
1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376974
2-chloro-4-N-[1-(3,4-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63450867
tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate
CID 107239819
N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378236
6-methyl-4-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 39782311
1-methyl-N-(1-thiophen-3-ylethyl)pyrazol-4-amine
CID 62090667

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine?
The IUPAC name of 3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine (CID 115376804) is 3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine is Cc1ccc(NC(C)c2cnn(C)c2)cc1N(C)C.
What is the InChIKey of 3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine?
The InChIKey is WRRRIPBMMRNHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11-6-7-14(8-15(11)18(3)4)17-12(2)13-9-16-19(5)10-13/h6-10,12,17H,1-5H3.
What are the key properties of 3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine?
3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine is sourced from PubChem (CID 115376804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).