4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide

C18H24N4O2S — CID 166351781

IUPAC4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)sc1C
InChIInChI=1S/C18H24N4O2S/c1-10(2)14-8-15(21-20-14)18(24)22-6-5-13(9-22)19-17(23)16-7-11(3)12(4)25-16/h7-8,10,13H,5-6,9H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyCKRXJLDGNYVIGG-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.86
Rot. Bonds4

About 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide

4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 166351781) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID166351781
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)sc1C
InChIInChI=1S/C18H24N4O2S/c1-10(2)14-8-15(21-20-14)18(24)22-6-5-13(9-22)19-17(23)16-7-11(3)12(4)25-16/h7-8,10,13H,5-6,9H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyCKRXJLDGNYVIGG-UHFFFAOYSA-N
XLogP2.86
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide (CID 166351781) is 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide is Cc1cc(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is CKRXJLDGNYVIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-10(2)14-8-15(21-20-14)18(24)22-6-5-13(9-22)19-17(23)16-7-11(3)12(4)25-16/h7-8,10,13H,5-6,9H2,1-4H3,(H,19,23)(H,20,21).
What are the key properties of 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 166351781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).