N-(1-adamantyl)-1H-pyrazole-4-carboxamide

C14H19N3O — CID 43532853

IUPACN-(1-adamantyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cn[nH]c1
InChIInChI=1S/C14H19N3O/c18-13(12-7-15-16-8-12)17-14-4-9-1-10(5-14)3-11(2-9)6-14/h7-11H,1-6H2,(H,15,16)(H,17,18)
InChIKeyUUBHGCRTOJBZOO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.11
Rot. Bonds2

About N-(1-adamantyl)-1H-pyrazole-4-carboxamide

N-(1-adamantyl)-1H-pyrazole-4-carboxamide (PubChem CID 43532853) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(1-adamantyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1H-pyrazole-4-carboxamide
PubChem CID43532853
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(1-adamantyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cn[nH]c1
InChIInChI=1S/C14H19N3O/c18-13(12-7-15-16-8-12)17-14-4-9-1-10(5-14)3-11(2-9)6-14/h7-11H,1-6H2,(H,15,16)(H,17,18)
InChIKeyUUBHGCRTOJBZOO-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-(5-fluoro-2-adamantyl)-1H-pyrazole-4-carboxamide
CID 141184157
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-carboxamide
CID 60788329
N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 43532977
N-(1-adamantylmethyl)-1H-pyrazole-4-carboxamide
CID 60770882
N-(2-adamantyl)-1H-pyrazole-4-carboxamide
CID 61273674
N-(2-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide
CID 69160904
N-(1-adamantyl)-5-chloro-1H-pyrazole-4-carboxamide
CID 69160907
N-(1H-pyrazol-4-ylmethyl)adamantan-1-amine
CID 89627143
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 130233520
N-(4-ethyl-4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 130233597
N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1H-pyrazole-4-carboxamide
CID 141152943

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-1H-pyrazole-4-carboxamide (CID 43532853) is N-(1-adamantyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1H-pyrazole-4-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cn[nH]c1.
What is the InChIKey of N-(1-adamantyl)-1H-pyrazole-4-carboxamide?
The InChIKey is UUBHGCRTOJBZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-13(12-7-15-16-8-12)17-14-4-9-1-10(5-14)3-11(2-9)6-14/h7-11H,1-6H2,(H,15,16)(H,17,18).
What are the key properties of N-(1-adamantyl)-1H-pyrazole-4-carboxamide?
N-(1-adamantyl)-1H-pyrazole-4-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-4-carboxamide is sourced from PubChem (CID 43532853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).