4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine

C15H21ClN4 — CID 62979203

IUPAC4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C(C)c2cccc(Cl)c2)c1CN
InChIInChI=1S/C15H21ClN4/c1-10-14(9-17)15(20(4)18-10)19(3)11(2)12-6-5-7-13(16)8-12/h5-8,11H,9,17H2,1-4H3
InChIKeyCYVMAFAWKNGZCB-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.04
Rot. Bonds4

About 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine

4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine (PubChem CID 62979203) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
PubChem CID62979203
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C(C)c2cccc(Cl)c2)c1CN
InChIInChI=1S/C15H21ClN4/c1-10-14(9-17)15(20(4)18-10)19(3)11(2)12-6-5-7-13(16)8-12/h5-8,11H,9,17H2,1-4H3
InChIKeyCYVMAFAWKNGZCB-UHFFFAOYSA-N
XLogP3.04
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66029205
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
CID 62979740
4-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
CID 107083062
2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline
CID 107105687
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
6-(aminomethyl)-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984551
4-(aminomethyl)-2-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63087520
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 62979844
4-[(1S)-1-aminoethyl]-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63369064
4-(aminomethyl)-N,1,3-trimethyl-N-(2-methylbutyl)pyrazol-5-amine
CID 43296122
6-chloro-4-N-[1-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 47283103

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine?
The IUPAC name of 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine (CID 62979203) is 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine?
The canonical SMILES for 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine is Cc1nn(C)c(N(C)C(C)c2cccc(Cl)c2)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine?
The InChIKey is CYVMAFAWKNGZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-10-14(9-17)15(20(4)18-10)19(3)11(2)12-6-5-7-13(16)8-12/h5-8,11H,9,17H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine?
4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine has a molecular weight of 292.81 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine is sourced from PubChem (CID 62979203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).