4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

C13H17ClN4OS — CID 66125318

IUPAC4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)Cc2ccc(Cl)s2)c1N
InChIInChI=1S/C13H17ClN4OS/c1-4-9-11(15)12(18(3)16-9)13(19)17(2)7-8-5-6-10(14)20-8/h5-6H,4,7,15H2,1-3H3
InChIKeyZZLLGYGMPZEVQW-UHFFFAOYSA-N
MW312.83 g/mol
LogP2.55
Rot. Bonds4

About 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 66125318) has the molecular formula C13H17ClN4OS and a molecular weight of 312.83 g/mol. Its IUPAC name is 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
PubChem CID66125318
Molecular FormulaC13H17ClN4OS
Molecular Weight312.83 g/mol
Exact Mass312.08
IUPAC Name4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)Cc2ccc(Cl)s2)c1N
InChIInChI=1S/C13H17ClN4OS/c1-4-9-11(15)12(18(3)16-9)13(19)17(2)7-8-5-6-10(14)20-8/h5-6H,4,7,15H2,1-3H3
InChIKeyZZLLGYGMPZEVQW-UHFFFAOYSA-N
XLogP2.55
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.83
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide
CID 66116977
4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66119287
N-[(5-chlorothiophen-2-yl)methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51305145
4-amino-N-(2,4-dimethylphenyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66117175
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663381
N-[(5-chlorothiophen-2-yl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615833
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 54906056
N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide
CID 62179430

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (CID 66125318) is 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(C)Cc2ccc(Cl)s2)c1N.
What is the InChIKey of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is ZZLLGYGMPZEVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4OS/c1-4-9-11(15)12(18(3)16-9)13(19)17(2)7-8-5-6-10(14)20-8/h5-6H,4,7,15H2,1-3H3.
What are the key properties of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 312.83 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66125318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).