5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine

C16H23ClN4 — CID 66029205

IUPAC5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN4/c1-5-9-21-16(15(18)11(2)19-21)20(4)12(3)13-7-6-8-14(17)10-13/h6-8,10,12H,5,9,18H2,1-4H3
InChIKeyBXZMYAYKHTVSTD-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.03
Rot. Bonds5

About 5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine

5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine (PubChem CID 66029205) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is 5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
PubChem CID66029205
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN4/c1-5-9-21-16(15(18)11(2)19-21)20(4)12(3)13-7-6-8-14(17)10-13/h6-8,10,12H,5,9,18H2,1-4H3
InChIKeyBXZMYAYKHTVSTD-UHFFFAOYSA-N
XLogP4.03
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
CID 62979203
4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66123414
3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine
CID 103078461
5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66028752
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
CID 62979536
6-chloro-4-N-[1-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 47283103
(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114686950
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66029760
5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine
CID 66029003
2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline
CID 107105687
5-N,3-dimethyl-5-N-pentyl-1-propylpyrazole-4,5-diamine
CID 66027038
4-[(1S)-1-aminoethyl]-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63369064

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine (CID 66029205) is 5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1N(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of 5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
The InChIKey is BXZMYAYKHTVSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-5-9-21-16(15(18)11(2)19-21)20(4)12(3)13-7-6-8-14(17)10-13/h6-8,10,12H,5,9,18H2,1-4H3.
What are the key properties of 5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine has a molecular weight of 306.84 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66029205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).