1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide

C20H26N6O2 — CID 44633202

IUPAC1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2ccn(C)n2)(C4)C3)n1
InChIInChI=1S/C20H26N6O2/c1-25-5-3-15(23-25)17(27)21-19-8-13-7-14(9-19)11-20(10-13,12-19)22-18(28)16-4-6-26(2)24-16/h3-6,13-14H,7-12H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyJXFKVFKRKZXOJW-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.40
Rot. Bonds4

About 1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide

1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide (PubChem CID 44633202) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide
PubChem CID44633202
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2ccn(C)n2)(C4)C3)n1
InChIInChI=1S/C20H26N6O2/c1-25-5-3-15(23-25)17(27)21-19-8-13-7-14(9-19)11-20(10-13,12-19)22-18(28)16-4-6-26(2)24-16/h3-6,13-14H,7-12H2,1-2H3,(H,21,27)(H,22,28)
InChIKeyJXFKVFKRKZXOJW-UHFFFAOYSA-N
XLogP1.40
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide
CID 67481788
N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide
CID 103881085
1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide
CID 131932557
1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
CID 168910444
N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide
CID 103885164
N-(1-adamantyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581490
6-(4-methylpiperazin-1-yl)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
CID 58358484
N-(1-adamantyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19584803
N-(3-acetamido-1-adamantyl)acetamide
CID 2817797
N-(3-carbamoyl-1-adamantyl)-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide
CID 68618521
N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 67480762
6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide
CID 53327009

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide (CID 44633202) is 1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide is Cn1ccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2ccn(C)n2)(C4)C3)n1.
What is the InChIKey of 1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide?
The InChIKey is JXFKVFKRKZXOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-25-5-3-15(23-25)17(27)21-19-8-13-7-14(9-19)11-20(10-13,12-19)22-18(28)16-4-6-26(2)24-16/h3-6,13-14H,7-12H2,1-2H3,(H,21,27)(H,22,28).
What are the key properties of 1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide?
1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide is sourced from PubChem (CID 44633202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).