N-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide

C20H27N5O2 — CID 136636935

IUPACN-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCC2)n(-c2nc3c(c(=O)[nH]2)CCCC3)n1
InChIInChI=1S/C20H27N5O2/c1-20(2,3)15-11-16(22-17(26)12-7-6-8-12)25(24-15)19-21-14-10-5-4-9-13(14)18(27)23-19/h11-12H,4-10H2,1-3H3,(H,22,26)(H,21,23,27)
InChIKeyNXMVZOVCMQGTNC-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.87
Rot. Bonds3

About N-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide

N-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide (PubChem CID 136636935) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
PubChem CID136636935
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCC2)n(-c2nc3c(c(=O)[nH]2)CCCC3)n1
InChIInChI=1S/C20H27N5O2/c1-20(2,3)15-11-16(22-17(26)12-7-6-8-12)25(24-15)19-21-14-10-5-4-9-13(14)18(27)23-19/h11-12H,4-10H2,1-3H3,(H,22,26)(H,21,23,27)
InChIKeyNXMVZOVCMQGTNC-UHFFFAOYSA-N
XLogP2.87
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
CID 136636609
N-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-3-cyanobenzamide
CID 136636916
cis-(1S,2R)-2-[[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate
CID 135551948
3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide
CID 135892241
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide
CID 42731406
4-tert-butyl-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]benzamide
CID 136615494
2-chloro-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135551814
N-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide
CID 136641398
N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide
CID 135892239
N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide
CID 135927380
N-cyclohexyl-N'-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954203
3,5-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135551827

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide?
The IUPAC name of N-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide (CID 136636935) is N-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide is CC(C)(C)c1cc(NC(=O)C2CCC2)n(-c2nc3c(c(=O)[nH]2)CCCC3)n1.
What is the InChIKey of N-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide?
The InChIKey is NXMVZOVCMQGTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-20(2,3)15-11-16(22-17(26)12-7-6-8-12)25(24-15)19-21-14-10-5-4-9-13(14)18(27)23-19/h11-12H,4-10H2,1-3H3,(H,22,26)(H,21,23,27).
What are the key properties of N-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide?
N-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide is sourced from PubChem (CID 136636935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).