1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine

C15H21ClN4 — CID 115377560

IUPAC1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCCc1nn(C)c(CNc2cccc(N(C)C)c2)c1Cl
InChIInChI=1S/C15H21ClN4/c1-5-13-15(16)14(20(4)18-13)10-17-11-7-6-8-12(9-11)19(2)3/h6-9,17H,5,10H2,1-4H3
InChIKeyOPJCBVVESOEKAQ-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.31
Rot. Bonds5

About 1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 115377560) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID115377560
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCCc1nn(C)c(CNc2cccc(N(C)C)c2)c1Cl
InChIInChI=1S/C15H21ClN4/c1-5-13-15(16)14(20(4)18-13)10-17-11-7-6-8-12(9-11)19(2)3/h6-9,17H,5,10H2,1-4H3
InChIKeyOPJCBVVESOEKAQ-UHFFFAOYSA-N
XLogP3.31
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine (CID 115377560) is 1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine is CCc1nn(C)c(CNc2cccc(N(C)C)c2)c1Cl.
What is the InChIKey of 1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is OPJCBVVESOEKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-5-13-15(16)14(20(4)18-13)10-17-11-7-6-8-12(9-11)19(2)3/h6-9,17H,5,10H2,1-4H3.
What are the key properties of 1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 292.81 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 115377560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).