N-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide

C14H18N4O2S — CID 51999178

IUPACN-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
SMILESCCCCNC(=O)c1cc(NC(=O)c2cccs2)n(C)n1
InChIInChI=1S/C14H18N4O2S/c1-3-4-7-15-13(19)10-9-12(18(2)17-10)16-14(20)11-6-5-8-21-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyIOWMHIOVRCFSGR-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.26
Rot. Bonds6

About N-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide

N-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide (PubChem CID 51999178) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
PubChem CID51999178
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
SMILESCCCCNC(=O)c1cc(NC(=O)c2cccs2)n(C)n1
InChIInChI=1S/C14H18N4O2S/c1-3-4-7-15-13(19)10-9-12(18(2)17-10)16-14(20)11-6-5-8-21-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyIOWMHIOVRCFSGR-UHFFFAOYSA-N
XLogP2.26
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-butan-2-yl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999172
N-butan-2-yl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 56686277
N-butyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110335994
N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999191
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999279
N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999157
N-(4-methoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999156
N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999140
1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999241
N-(2-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 38995701
N-[3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 51999302
N-(pentylcarbamothioyl)thiophene-2-carboxamide
CID 19187814

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
The IUPAC name of N-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide (CID 51999178) is N-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide.
What is the SMILES notation for N-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
The canonical SMILES for N-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide is CCCCNC(=O)c1cc(NC(=O)c2cccs2)n(C)n1.
What is the InChIKey of N-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
The InChIKey is IOWMHIOVRCFSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-4-7-15-13(19)10-9-12(18(2)17-10)16-14(20)11-6-5-8-21-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of N-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
N-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide is sourced from PubChem (CID 51999178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).