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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Related Compounds

N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024230
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide
CID 66126685
N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 60590871
N-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide
CID 71935395
N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 60587824
N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60591048
N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 119474628
methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate
CID 71936867
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841
2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide
CID 175650434
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126934979

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).