N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide

C20H21N5O2S — CID 74802009

IUPACN-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cc(C2CC2)nn1C1=NC(=O)C2CCCCC2=N1
InChIInChI=1S/C20H21N5O2S/c26-18(10-13-4-3-9-28-13)22-17-11-16(12-7-8-12)24-25(17)20-21-15-6-2-1-5-14(15)19(27)23-20/h3-4,9,11-12,14H,1-2,5-8,10H2,(H,22,26)
InChIKeyMRRACDFNEQSYII-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.38
Rot. Bonds4

About N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide

N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 74802009) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
PubChem CID74802009
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC NameN-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cc(C2CC2)nn1C1=NC(=O)C2CCCCC2=N1
InChIInChI=1S/C20H21N5O2S/c26-18(10-13-4-3-9-28-13)22-17-11-16(12-7-8-12)24-25(17)20-21-15-6-2-1-5-14(15)19(27)23-20/h3-4,9,11-12,14H,1-2,5-8,10H2,(H,22,26)
InChIKeyMRRACDFNEQSYII-UHFFFAOYSA-N
XLogP3.38
TPSA88.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 74802004
N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
CID 135927395
N-[1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74783866
5-cyclopropyl-N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide
CID 74801969
N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
CID 135892119
N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-phenoxypropanamide
CID 74801943
2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide
CID 74798472
1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea
CID 74925017
N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide
CID 78715775
5-bromo-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]furan-2-carboxamide
CID 74798724
ethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate
CID 78715844
2-(4-aminophenyl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide
CID 119684822

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide (CID 74802009) is N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1cc(C2CC2)nn1C1=NC(=O)C2CCCCC2=N1.
What is the InChIKey of N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide?
The InChIKey is MRRACDFNEQSYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c26-18(10-13-4-3-9-28-13)22-17-11-16(12-7-8-12)24-25(17)20-21-15-6-2-1-5-14(15)19(27)23-20/h3-4,9,11-12,14H,1-2,5-8,10H2,(H,22,26).
What are the key properties of N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide?
N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 395.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 74802009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).