N-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide

C21H29N3O2S — CID 123245687

IUPACN-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide
SMILESCc1c(NC(=O)c2csc(C3CC3CCCC3CCOCC3)c2)cnn1C
InChIInChI=1S/C21H29N3O2S/c1-14-19(12-22-24(14)2)23-21(25)17-11-20(27-13-17)18-10-16(18)5-3-4-15-6-8-26-9-7-15/h11-13,15-16,18H,3-10H2,1-2H3,(H,23,25)
InChIKeyMMVZFJAZZOKLDT-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.74
Rot. Bonds7

About N-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide

N-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide (PubChem CID 123245687) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide
PubChem CID123245687
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide
SMILESCc1c(NC(=O)c2csc(C3CC3CCCC3CCOCC3)c2)cnn1C
InChIInChI=1S/C21H29N3O2S/c1-14-19(12-22-24(14)2)23-21(25)17-11-20(27-13-17)18-10-16(18)5-3-4-15-6-8-26-9-7-15/h11-13,15-16,18H,3-10H2,1-2H3,(H,23,25)
InChIKeyMMVZFJAZZOKLDT-UHFFFAOYSA-N
XLogP4.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide with MolForge

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Related Compounds

N-(1-ethylpyrazol-4-yl)-5-[(1R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
CID 138737691
N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide
CID 134702628
1,5-dimethyl-N-(oxolan-3-ylmethyl)pyrazol-4-amine
CID 115899682
N-(1,5-dimethylpyrazol-4-yl)-2,4,5-trimethylbenzamide
CID 134707317
5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
CID 118433136
N-(2,5-dimethylpyrazol-3-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide
CID 118433227
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 19411137
N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 19399796
3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399761
N-(1,5-dimethylpyrazol-4-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 167932355
4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 4773000
2-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide
CID 127824011

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide (CID 123245687) is N-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide is Cc1c(NC(=O)c2csc(C3CC3CCCC3CCOCC3)c2)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide?
The InChIKey is MMVZFJAZZOKLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-14-19(12-22-24(14)2)23-21(25)17-11-20(27-13-17)18-10-16(18)5-3-4-15-6-8-26-9-7-15/h11-13,15-16,18H,3-10H2,1-2H3,(H,23,25).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide?
N-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide has a molecular weight of 387.55 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-5-[2-[3-(oxan-4-yl)propyl]cyclopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 123245687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).