3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine

C15H22N4 — CID 66015159

IUPAC3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(C)Cc2ccc(C)cc2)c1N
InChIInChI=1S/C15H22N4/c1-5-13-14(16)15(19(4)17-13)18(3)10-12-8-6-11(2)7-9-12/h6-9H,5,10,16H2,1-4H3
InChIKeyBKTDTWKOWFBFNN-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.51
Rot. Bonds4

About 3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine

3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine (PubChem CID 66015159) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine
PubChem CID66015159
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(C)Cc2ccc(C)cc2)c1N
InChIInChI=1S/C15H22N4/c1-5-13-14(16)15(19(4)17-13)18(3)10-12-8-6-11(2)7-9-12/h6-9H,5,10,16H2,1-4H3
InChIKeyBKTDTWKOWFBFNN-UHFFFAOYSA-N
XLogP2.51
TPSA47.08 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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine (CID 66015159) is 3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine is CCc1nn(C)c(N(C)Cc2ccc(C)cc2)c1N.
What is the InChIKey of 3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine?
The InChIKey is BKTDTWKOWFBFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-5-13-14(16)15(19(4)17-13)18(3)10-12-8-6-11(2)7-9-12/h6-9H,5,10,16H2,1-4H3.
What are the key properties of 3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine?
3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-N,1-dimethyl-5-N-[(4-methylphenyl)methyl]pyrazole-4,5-diamine is sourced from PubChem (CID 66015159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).