N-(1-adamantyl)-1H-pyrazole-5-carboxamide

C14H19N3O — CID 68592959

IUPACN-(1-adamantyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccn[nH]1
InChIInChI=1S/C14H19N3O/c18-13(12-1-2-15-17-12)16-14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H,15,17)(H,16,18)
InChIKeyWQWZKJUOWOYZOX-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.11
Rot. Bonds2

About N-(1-adamantyl)-1H-pyrazole-5-carboxamide

N-(1-adamantyl)-1H-pyrazole-5-carboxamide (PubChem CID 68592959) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(1-adamantyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1H-pyrazole-5-carboxamide
PubChem CID68592959
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(1-adamantyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccn[nH]1
InChIInChI=1S/C14H19N3O/c18-13(12-1-2-15-17-12)16-14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H,15,17)(H,16,18)
InChIKeyWQWZKJUOWOYZOX-UHFFFAOYSA-N
XLogP2.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 580065
1H-Pyrazole-3-carboxylic acid (methyl)(1,2,2,6,6-pentamethylpiperidin-4-yl)amide
CID 672567
N-(1-adamantyl)-2-ethyl-N-methylpyrazole-3-carboxamide
CID 3612272
N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
CID 53538100
N-Methyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)-1H-pyrazole-3-carboxamide
CID 686755
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 1204953
N-adamantanyl[1-(difluoromethyl)pyrazol-5-yl]carboxamide
CID 4768658
N-adamantanyl[1-(difluoromethyl)pyrazol-3-yl]carboxamide
CID 4768746
N-(1-adamantyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508092
N-[2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 121523396
N-[2-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 129381592
N-[2-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 129381593

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-adamantyl)-1H-pyrazole-5-carboxamide (CID 68592959) is N-(1-adamantyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1H-pyrazole-5-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccn[nH]1.
What is the InChIKey of N-(1-adamantyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WQWZKJUOWOYZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-13(12-1-2-15-17-12)16-14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H,15,17)(H,16,18).
What are the key properties of N-(1-adamantyl)-1H-pyrazole-5-carboxamide?
N-(1-adamantyl)-1H-pyrazole-5-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 68592959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).