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

C14H17ClN4OS — CID 65357867

IUPAC4-amino-N-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)c1nn(CC)cc1N
InChIInChI=1S/C14H17ClN4OS/c1-3-7-18(8-10-5-6-12(15)21-10)14(20)13-11(16)9-19(4-2)17-13/h3,5-6,9H,1,4,7-8,16H2,2H3
InChIKeyOHVASTWAIABRPN-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.03
Rot. Bonds6

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

4-amino-N-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-N-prop-2-enylpyrazole-3-carboxamide (PubChem CID 65357867) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-N-prop-2-enylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-N-prop-2-enylpyrazole-3-carboxamide
PubChem CID65357867
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name4-amino-N-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)c1nn(CC)cc1N
InChIInChI=1S/C14H17ClN4OS/c1-3-7-18(8-10-5-6-12(15)21-10)14(20)13-11(16)9-19(4-2)17-13/h3,5-6,9H,1,4,7-8,16H2,2H3
InChIKeyOHVASTWAIABRPN-UHFFFAOYSA-N
XLogP3.03
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-N-prop-2-enylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-N-prop-2-enylpyrazole-3-carboxamide (CID 65357867) is 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-N-prop-2-enylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-N-prop-2-enylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-N-prop-2-enylpyrazole-3-carboxamide is C=CCN(Cc1ccc(Cl)s1)C(=O)c1nn(CC)cc1N.
What is the InChIKey of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-N-prop-2-enylpyrazole-3-carboxamide?
The InChIKey is OHVASTWAIABRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-3-7-18(8-10-5-6-12(15)21-10)14(20)13-11(16)9-19(4-2)17-13/h3,5-6,9H,1,4,7-8,16H2,2H3.
What are the key properties of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-N-prop-2-enylpyrazole-3-carboxamide?
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-1-ethyl-N-prop-2-enylpyrazole-3-carboxamide has a molecular weight of 324.84 g/mol, XLogP of 3.03, 6 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]-1-ethyl-N-prop-2-enylpyrazole-3-carboxamide is sourced from PubChem (CID 65357867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).