N-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide

C12H11N5O2S — CID 68989743

IUPACN-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide
SMILESN#CCCNC(=O)c1[nH]ncc1NC(=O)c1cccs1
InChIInChI=1S/C12H11N5O2S/c13-4-2-5-14-12(19)10-8(7-15-17-10)16-11(18)9-3-1-6-20-9/h1,3,6-7H,2,5H2,(H,14,19)(H,15,17)(H,16,18)
InChIKeyCFEWOQIMGCCYNI-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.37
Rot. Bonds5

About N-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide

N-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide (PubChem CID 68989743) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide
PubChem CID68989743
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC NameN-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide
SMILESN#CCCNC(=O)c1[nH]ncc1NC(=O)c1cccs1
InChIInChI=1S/C12H11N5O2S/c13-4-2-5-14-12(19)10-8(7-15-17-10)16-11(18)9-3-1-6-20-9/h1,3,6-7H,2,5H2,(H,14,19)(H,15,17)(H,16,18)
InChIKeyCFEWOQIMGCCYNI-UHFFFAOYSA-N
XLogP1.37
TPSA110.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)thiophene-2-carboxamide
CID 60656092
N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 68991326
4-[(5-bromofuran-2-carbonyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide
CID 68987669
N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
CID 86631239
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide
CID 574246
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
N-hex-5-ynylthiophene-2-carboxamide
CID 103758137
N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
CID 86815046
N-[2-[[1-(2-cyanoethyl)-3-phenylpyrazol-5-yl]amino]phenyl]thiophene-2-carboxamide
CID 2997935
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-(2-cyanoethyl)-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 130649631

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide (CID 68989743) is N-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide is N#CCCNC(=O)c1[nH]ncc1NC(=O)c1cccs1.
What is the InChIKey of N-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide?
The InChIKey is CFEWOQIMGCCYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c13-4-2-5-14-12(19)10-8(7-15-17-10)16-11(18)9-3-1-6-20-9/h1,3,6-7H,2,5H2,(H,14,19)(H,15,17)(H,16,18).
What are the key properties of N-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide?
N-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 68989743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).