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

C24H31N5O2 — CID 135892084

IUPACN-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide
SMILESCC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C24H31N5O2/c1-13(2)18-9-21(30)27-23(25-18)29-20(8-19(28-29)17-3-4-17)26-22(31)24-10-14-5-15(11-24)7-16(6-14)12-24/h8-9,13-17H,3-7,10-12H2,1-2H3,(H,26,31)(H,25,27,30)
InChIKeyUNOHRAZKLUKIPO-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.11
Rot. Bonds5

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

N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide (PubChem CID 135892084) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide
PubChem CID135892084
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide
SMILESCC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C24H31N5O2/c1-13(2)18-9-21(30)27-23(25-18)29-20(8-19(28-29)17-3-4-17)26-22(31)24-10-14-5-15(11-24)7-16(6-14)12-24/h8-9,13-17H,3-7,10-12H2,1-2H3,(H,26,31)(H,25,27,30)
InChIKeyUNOHRAZKLUKIPO-UHFFFAOYSA-N
XLogP4.11
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-adamantyl)-2-tert-butyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680720
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide
CID 135551798
2-cyclohexyl-N-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135551800
N-(3-cyclopropyl-1-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-1H-pyrazol-5-yl)-3-methylbutanamide
CID 136253212
N-(3-cyclopropyl-1-(4-oxo-3,4,5,6,7,8-hexahydroqui
CID 136253213
(3r,5r,7r)-N-(3-methyl-1-(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)adamantane-1-carboxamide
CID 135753194
N-(3-cyclopropyl-1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)cyclopropanecarboxamide
CID 135892053
N-(3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135892137
2-[5-(1-adamantylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 169018053
N-(3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135892136
N-(3-cyclopropyl-1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135892203
ethyl (3-cyclopropyl-1-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-1H-pyrazol-5-yl)carbamate
CID 135927401

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide?
The IUPAC name of N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide (CID 135892084) is N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide is CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide?
The InChIKey is UNOHRAZKLUKIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-13(2)18-9-21(30)27-23(25-18)29-20(8-19(28-29)17-3-4-17)26-22(31)24-10-14-5-15(11-24)7-16(6-14)12-24/h8-9,13-17H,3-7,10-12H2,1-2H3,(H,26,31)(H,25,27,30).
What are the key properties of N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide?
N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide is sourced from PubChem (CID 135892084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).