4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide

C15H19ClN4O — CID 66123414

IUPAC4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(C)C(C)c2cccc(Cl)c2)c1N
InChIInChI=1S/C15H19ClN4O/c1-9-13(17)14(20(4)18-9)15(21)19(3)10(2)11-6-5-7-12(16)8-11/h5-8,10H,17H2,1-4H3
InChIKeySIOGPXFLHRPOTM-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.80
Rot. Bonds3

About 4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide

4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide (PubChem CID 66123414) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
PubChem CID66123414
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(C)C(C)c2cccc(Cl)c2)c1N
InChIInChI=1S/C15H19ClN4O/c1-9-13(17)14(20(4)18-9)15(21)19(3)10(2)11-6-5-7-12(16)8-11/h5-8,10H,17H2,1-4H3
InChIKeySIOGPXFLHRPOTM-UHFFFAOYSA-N
XLogP2.80
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66123402
4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide
CID 66124560
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62978574
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
CID 62978753
2-amino-6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzamide
CID 63659864
4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62978573
N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 46591279
3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 61139721
6-amino-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62728769
N-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55761446
N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide
CID 47161938
3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
CID 61139880

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide (CID 66123414) is 4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)N(C)C(C)c2cccc(Cl)c2)c1N.
What is the InChIKey of 4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide?
The InChIKey is SIOGPXFLHRPOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-9-13(17)14(20(4)18-9)15(21)19(3)10(2)11-6-5-7-12(16)8-11/h5-8,10H,17H2,1-4H3.
What are the key properties of 4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide?
4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide has a molecular weight of 306.80 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66123414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).