N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide

C12H14N4O2S — CID 18152632

IUPACN-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCn1ccc(NC(=O)CCNC(=O)c2ccsc2)n1
InChIInChI=1S/C12H14N4O2S/c1-16-6-3-10(15-16)14-11(17)2-5-13-12(18)9-4-7-19-8-9/h3-4,6-8H,2,5H2,1H3,(H,13,18)(H,14,15,17)
InChIKeyAIMWGWVYROSXOH-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.24
Rot. Bonds5

About N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 18152632) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID18152632
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCn1ccc(NC(=O)CCNC(=O)c2ccsc2)n1
InChIInChI=1S/C12H14N4O2S/c1-16-6-3-10(15-16)14-11(17)2-5-13-12(18)9-4-7-19-8-9/h3-4,6-8H,2,5H2,1H3,(H,13,18)(H,14,15,17)
InChIKeyAIMWGWVYROSXOH-UHFFFAOYSA-N
XLogP1.24
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 18152632) is N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide is Cn1ccc(NC(=O)CCNC(=O)c2ccsc2)n1.
What is the InChIKey of N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is AIMWGWVYROSXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-16-6-3-10(15-16)14-11(17)2-5-13-12(18)9-4-7-19-8-9/h3-4,6-8H,2,5H2,1H3,(H,13,18)(H,14,15,17).
What are the key properties of N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-methylpyrazol-3-yl)amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 18152632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).