4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine

C15H21ClN4 — CID 63785903

IUPAC4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)Cc2ccccc2Cl)c1CCN
InChIInChI=1S/C15H21ClN4/c1-11-13(8-9-17)15(20(3)18-11)19(2)10-12-6-4-5-7-14(12)16/h4-7H,8-10,17H2,1-3H3
InChIKeyQCNMJDNLORMKJO-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.52
Rot. Bonds5

About 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine

4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine (PubChem CID 63785903) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine
PubChem CID63785903
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)Cc2ccccc2Cl)c1CCN
InChIInChI=1S/C15H21ClN4/c1-11-13(8-9-17)15(20(3)18-11)19(2)10-12-6-4-5-7-14(12)16/h4-7H,8-10,17H2,1-3H3
InChIKeyQCNMJDNLORMKJO-UHFFFAOYSA-N
XLogP2.52
TPSA47.08 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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine?
The IUPAC name of 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine (CID 63785903) is 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine?
The canonical SMILES for 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine is Cc1nn(C)c(N(C)Cc2ccccc2Cl)c1CCN.
What is the InChIKey of 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine?
The InChIKey is QCNMJDNLORMKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-11-13(8-9-17)15(20(3)18-11)19(2)10-12-6-4-5-7-14(12)16/h4-7H,8-10,17H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine?
4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine has a molecular weight of 292.81 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine is sourced from PubChem (CID 63785903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).