N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide

C23H29N5O2 — CID 135892144

IUPACN-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide
SMILESCc1nc(-n2nc(C3CC3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)[nH]c(=O)c1C
InChIInChI=1S/C23H29N5O2/c1-12-13(2)24-22(26-20(12)29)28-19(8-18(27-28)17-3-4-17)25-21(30)23-9-14-5-15(10-23)7-16(6-14)11-23/h8,14-17H,3-7,9-11H2,1-2H3,(H,25,30)(H,24,26,29)
InChIKeyRVRGBXNCZZILQN-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.60
Rot. Bonds4

About N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide

N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide (PubChem CID 135892144) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide
PubChem CID135892144
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide
SMILESCc1nc(-n2nc(C3CC3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)[nH]c(=O)c1C
InChIInChI=1S/C23H29N5O2/c1-12-13(2)24-22(26-20(12)29)28-19(8-18(27-28)17-3-4-17)25-21(30)23-9-14-5-15(10-23)7-16(6-14)11-23/h8,14-17H,3-7,9-11H2,1-2H3,(H,25,30)(H,24,26,29)
InChIKeyRVRGBXNCZZILQN-UHFFFAOYSA-N
XLogP3.60
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide
CID 135927380
N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 135892173
N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 135892174
(3S)-N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 135892201
N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-naphthalen-2-yloxyacetamide
CID 135892170
N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 135892199
2-cyclopentyl-N-[3-cyclopropyl-1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide
CID 135892207
N-cyclopentyl-N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide
CID 135954167
5-cyclopropyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1,2-oxazole-3-carboxamide
CID 136605241
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]propanamide
CID 135551467
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-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide
CID 135891989

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide?
The IUPAC name of N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide (CID 135892144) is N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide is Cc1nc(-n2nc(C3CC3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)[nH]c(=O)c1C.
What is the InChIKey of N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide?
The InChIKey is RVRGBXNCZZILQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-12-13(2)24-22(26-20(12)29)28-19(8-18(27-28)17-3-4-17)25-21(30)23-9-14-5-15(10-23)7-16(6-14)11-23/h8,14-17H,3-7,9-11H2,1-2H3,(H,25,30)(H,24,26,29).
What are the key properties of N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide?
N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide is sourced from PubChem (CID 135892144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).