N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]thiophene-2-carboxamide

C11H12N4O2S — CID 43429703

IUPACN-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H12N4O2S/c1-7(10(16)15-8-5-12-13-6-8)14-11(17)9-3-2-4-18-9/h2-7H,1H3,(H,12,13)(H,14,17)(H,15,16)
InChIKeyWMPBGJITRGUPIB-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.23
Rot. Bonds4

About N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]thiophene-2-carboxamide

N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]thiophene-2-carboxamide (PubChem CID 43429703) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]thiophene-2-carboxamide
PubChem CID43429703
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H12N4O2S/c1-7(10(16)15-8-5-12-13-6-8)14-11(17)9-3-2-4-18-9/h2-7H,1H3,(H,12,13)(H,14,17)(H,15,16)
InChIKeyWMPBGJITRGUPIB-UHFFFAOYSA-N
XLogP1.23
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]thiophene-2-carboxamide (CID 43429703) is N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)Nc1cn[nH]c1.
What is the InChIKey of N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is WMPBGJITRGUPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7(10(16)15-8-5-12-13-6-8)14-11(17)9-3-2-4-18-9/h2-7H,1H3,(H,12,13)(H,14,17)(H,15,16).
What are the key properties of N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]thiophene-2-carboxamide?
N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 43429703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).