N-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide

C17H23N5O2 — CID 136636609

IUPACN-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
SMILESCc1cc(=O)[nH]c(-n2nc(C(C)(C)C)cc2NC(=O)C2CCC2)n1
InChIInChI=1S/C17H23N5O2/c1-10-8-14(23)20-16(18-10)22-13(9-12(21-22)17(2,3)4)19-15(24)11-6-5-7-11/h8-9,11H,5-7H2,1-4H3,(H,19,24)(H,18,20,23)
InChIKeyPZLXFPWOKJZYRW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.30
Rot. Bonds3

About N-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide

N-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide (PubChem CID 136636609) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
PubChem CID136636609
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
SMILESCc1cc(=O)[nH]c(-n2nc(C(C)(C)C)cc2NC(=O)C2CCC2)n1
InChIInChI=1S/C17H23N5O2/c1-10-8-14(23)20-16(18-10)22-13(9-12(21-22)17(2,3)4)19-15(24)11-6-5-7-11/h8-9,11H,5-7H2,1-4H3,(H,19,24)(H,18,20,23)
InChIKeyPZLXFPWOKJZYRW-UHFFFAOYSA-N
XLogP2.30
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
CID 136636935
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide
CID 136636644
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentanecarboxamide
CID 136604744
trans-(1R,2R)-2-[[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate
CID 135753010
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide
CID 42731406
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide
CID 135551631
4-tert-butyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135870128
N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide
CID 135891989
2-chloro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide
CID 136636473
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopentanecarboxamide
CID 135879870
N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide
CID 135954051
(3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide
CID 95274619

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide?
The IUPAC name of N-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide (CID 136636609) is N-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide is Cc1cc(=O)[nH]c(-n2nc(C(C)(C)C)cc2NC(=O)C2CCC2)n1.
What is the InChIKey of N-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide?
The InChIKey is PZLXFPWOKJZYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10-8-14(23)20-16(18-10)22-13(9-12(21-22)17(2,3)4)19-15(24)11-6-5-7-11/h8-9,11H,5-7H2,1-4H3,(H,19,24)(H,18,20,23).
What are the key properties of N-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide?
N-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.30, 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-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide is sourced from PubChem (CID 136636609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).