N-(2-adamantyl)-1-methyl-5-piperidin-1-ylpyrazole-4-carboxamide

C20H30N4O — CID 25014045

IUPACN-(2-adamantyl)-1-methyl-5-piperidin-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1N1CCCCC1
InChIInChI=1S/C20H30N4O/c1-23-20(24-5-3-2-4-6-24)17(12-21-23)19(25)22-18-15-8-13-7-14(10-15)11-16(18)9-13/h12-16,18H,2-11H2,1H3,(H,22,25)
InChIKeyQRPFPZTWMVXVIA-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.96
Rot. Bonds3

About N-(2-adamantyl)-1-methyl-5-piperidin-1-ylpyrazole-4-carboxamide

N-(2-adamantyl)-1-methyl-5-piperidin-1-ylpyrazole-4-carboxamide (PubChem CID 25014045) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-(2-adamantyl)-1-methyl-5-piperidin-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-methyl-5-piperidin-1-ylpyrazole-4-carboxamide
PubChem CID25014045
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-(2-adamantyl)-1-methyl-5-piperidin-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1N1CCCCC1
InChIInChI=1S/C20H30N4O/c1-23-20(24-5-3-2-4-6-24)17(12-21-23)19(25)22-18-15-8-13-7-14(10-15)11-16(18)9-13/h12-16,18H,2-11H2,1H3,(H,22,25)
InChIKeyQRPFPZTWMVXVIA-UHFFFAOYSA-N
XLogP2.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-adamantyl)-1-tert-butyl-5-piperidin-1-ylpyrazole-4-carboxamide
CID 25011906
N-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide
CID 67020998
N-(2-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 25203979
N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279634
4-[4-(2-adamantylcarbamoyl)-5-propan-2-ylpyrazol-1-yl]benzoic acid
CID 25006688
[1-methyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl] N-(2-adamantyl)carbamate
CID 118234881
3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 102554735
N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19575386
4-[4-(2-adamantylcarbamoyl)-5-cyclobutylpyrazol-1-yl]benzoic acid
CID 25007063
4-[4-(2-adamantylcarbamoyl)-5-tert-butylpyrazol-1-yl]-3-methylbenzoic acid
CID 25002424
N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513013
N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769522

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-methyl-5-piperidin-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-methyl-5-piperidin-1-ylpyrazole-4-carboxamide (CID 25014045) is N-(2-adamantyl)-1-methyl-5-piperidin-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-methyl-5-piperidin-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-methyl-5-piperidin-1-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1N1CCCCC1.
What is the InChIKey of N-(2-adamantyl)-1-methyl-5-piperidin-1-ylpyrazole-4-carboxamide?
The InChIKey is QRPFPZTWMVXVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-23-20(24-5-3-2-4-6-24)17(12-21-23)19(25)22-18-15-8-13-7-14(10-15)11-16(18)9-13/h12-16,18H,2-11H2,1H3,(H,22,25).
What are the key properties of N-(2-adamantyl)-1-methyl-5-piperidin-1-ylpyrazole-4-carboxamide?
N-(2-adamantyl)-1-methyl-5-piperidin-1-ylpyrazole-4-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-methyl-5-piperidin-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 25014045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).