N-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide

C19H24N6O — CID 59579828

IUPACN-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide
SMILESNc1nn(-c2ncccn2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N6O/c20-16-15(10-25(24-16)18-21-2-1-3-22-18)17(26)23-11-19-7-12-4-13(8-19)6-14(5-12)9-19/h1-3,10,12-14H,4-9,11H2,(H2,20,24)(H,23,26)
InChIKeyLJVXHORYIDBTOX-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.19
Rot. Bonds4

About N-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide

N-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide (PubChem CID 59579828) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide
PubChem CID59579828
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC NameN-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide
SMILESNc1nn(-c2ncccn2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24N6O/c20-16-15(10-25(24-16)18-21-2-1-3-22-18)17(26)23-11-19-7-12-4-13(8-19)6-14(5-12)9-19/h1-3,10,12-14H,4-9,11H2,(H2,20,24)(H,23,26)
InChIKeyLJVXHORYIDBTOX-UHFFFAOYSA-N
XLogP2.19
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-adamantylmethyl)-1-(3-aminopyrazin-2-yl)-3-methylpyrazole-4-carboxamide
CID 25225402
N-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 59579870
N-(1-adamantylmethyl)-2-methylsulfinylpyridine-3-carboxamide
CID 20670047
N-(1-adamantylmethyl)-2-(2-aminoethylsulfanyl)pyridine-3-carboxamide
CID 20670020
3-(1-adamantylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19498248
N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide
CID 20670051
2-methyl-N-(1-tricyclo[3.3.1.03,7]nonanylmethyl)pyridine-3-carboxamide
CID 145490475
N-(1-adamantylmethyl)imidazo[1,2-a]pyrimidine-5-carboxamide
CID 59451925
N-(1-adamantylmethyl)-1-[4-[(3R)-3-aminopiperidine-1-carbonyl]-5-methylpyrimidin-2-yl]-3-methylpyrazole-4-carboxamide
CID 59579814
N-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474036
4-(1-adamantylmethylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 19496253
4-N-(1-adamantylmethyl)-2-N-methyl-2-N-pyridin-4-ylpyrazolo[1,5-a]pyridine-2,4-dicarboxamide
CID 25095107

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide (CID 59579828) is N-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide is Nc1nn(-c2ncccn2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide?
The InChIKey is LJVXHORYIDBTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c20-16-15(10-25(24-16)18-21-2-1-3-22-18)17(26)23-11-19-7-12-4-13(8-19)6-14(5-12)9-19/h1-3,10,12-14H,4-9,11H2,(H2,20,24)(H,23,26).
What are the key properties of N-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide?
N-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 59579828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).