N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]thiophene-2-carboxamide

C18H23N5O2S — CID 74801743

IUPACN-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
SMILESCC(C)C1CC(=O)NC(n2nc(C3CC3)cc2NC(=O)c2cccs2)N1
InChIInChI=1S/C18H23N5O2S/c1-10(2)12-9-16(24)21-18(19-12)23-15(8-13(22-23)11-5-6-11)20-17(25)14-4-3-7-26-14/h3-4,7-8,10-12,18-19H,5-6,9H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyPUIHQOIJHVHZPC-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.66
Rot. Bonds5

About N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]thiophene-2-carboxamide

N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]thiophene-2-carboxamide (PubChem CID 74801743) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
PubChem CID74801743
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
SMILESCC(C)C1CC(=O)NC(n2nc(C3CC3)cc2NC(=O)c2cccs2)N1
InChIInChI=1S/C18H23N5O2S/c1-10(2)12-9-16(24)21-18(19-12)23-15(8-13(22-23)11-5-6-11)20-17(25)14-4-3-7-26-14/h3-4,7-8,10-12,18-19H,5-6,9H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyPUIHQOIJHVHZPC-UHFFFAOYSA-N
XLogP2.66
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-3,5-dimethylbenzamide
CID 74801693
2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide
CID 74801520
3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide
CID 74801890
N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 78714002
N-[(2R)-butan-2-yl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999172
N-butan-2-yl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 56686277
2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74783622
N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 43399092
N-[3-cyclopropyl-1-(4-oxo-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-phenoxyacetamide
CID 74801940
6-cyclopropyl-3-methyl-1-pyridin-2-yl-N-[4-(thiophene-2-carbonylamino)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 60611646
N-(2-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 38995701
N-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 33316475

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]thiophene-2-carboxamide (CID 74801743) is N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]thiophene-2-carboxamide is CC(C)C1CC(=O)NC(n2nc(C3CC3)cc2NC(=O)c2cccs2)N1.
What is the InChIKey of N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]thiophene-2-carboxamide?
The InChIKey is PUIHQOIJHVHZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-10(2)12-9-16(24)21-18(19-12)23-15(8-13(22-23)11-5-6-11)20-17(25)14-4-3-7-26-14/h3-4,7-8,10-12,18-19H,5-6,9H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]thiophene-2-carboxamide?
N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]thiophene-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 74801743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).