N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide

C14H16N4O2S — CID 56822157

IUPACN-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2sccc2C(=O)NC2CC2)n(C)n1
InChIInChI=1S/C14H16N4O2S/c1-8-7-11(18(2)17-8)13(20)16-14-10(5-6-21-14)12(19)15-9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyNAYIVAMIGGKBDX-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.93
Rot. Bonds4

About N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide

N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 56822157) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID56822157
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2sccc2C(=O)NC2CC2)n(C)n1
InChIInChI=1S/C14H16N4O2S/c1-8-7-11(18(2)17-8)13(20)16-14-10(5-6-21-14)12(19)15-9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyNAYIVAMIGGKBDX-UHFFFAOYSA-N
XLogP1.93
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide (CID 56822157) is N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2sccc2C(=O)NC2CC2)n(C)n1.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is NAYIVAMIGGKBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8-7-11(18(2)17-8)13(20)16-14-10(5-6-21-14)12(19)15-9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 56822157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).