4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide

C18H24N4OS — CID 118433220

IUPAC4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)cn1
InChIInChI=1S/C18H24N4OS/c1-3-22-10-13(9-19-22)21-18(23)17-8-14(11(2)24-17)15-7-16(15)20-12-5-4-6-12/h8-10,12,15-16,20H,3-7H2,1-2H3,(H,21,23)
InChIKeyJGKPCWCLXNYKSK-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.52
Rot. Bonds6

About 4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide

4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide (PubChem CID 118433220) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide
PubChem CID118433220
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)cn1
InChIInChI=1S/C18H24N4OS/c1-3-22-10-13(9-19-22)21-18(23)17-8-14(11(2)24-17)15-7-16(15)20-12-5-4-6-12/h8-10,12,15-16,20H,3-7H2,1-2H3,(H,21,23)
InChIKeyJGKPCWCLXNYKSK-UHFFFAOYSA-N
XLogP3.52
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432712
2-[4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61019164
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 43429906
5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 118432853
4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 43641679
N-(1-ethylpyrazol-4-yl)-5-[(1R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
CID 138737691
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-[(1S,2R)-2-[(1-cyclopropylpiperidin-4-yl)amino]cyclopropyl]benzamide
CID 118304113
(2S)-N-(1-ethylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119292192
N-cycloheptyl-1-ethylpyrazol-4-amine
CID 43543541
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304316
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide (CID 118433220) is 4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide is CCn1cc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)cn1.
What is the InChIKey of 4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is JGKPCWCLXNYKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-3-22-10-13(9-19-22)21-18(23)17-8-14(11(2)24-17)15-7-16(15)20-12-5-4-6-12/h8-10,12,15-16,20H,3-7H2,1-2H3,(H,21,23).
What are the key properties of 4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide?
4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 118433220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).