N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide

C23H29N3O — CID 78873962

IUPACN-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cnn1Cc1ccccc1
InChIInChI=1S/C23H29N3O/c1-2-21-20(14-24-26(21)15-16-6-4-3-5-7-16)22(27)25-23-11-17-8-18(12-23)10-19(9-17)13-23/h3-7,14,17-19H,2,8-13,15H2,1H3,(H,25,27)
InChIKeyIIVUSSCFUBDHTP-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.19
Rot. Bonds5

About N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide

N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide (PubChem CID 78873962) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
PubChem CID78873962
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cnn1Cc1ccccc1
InChIInChI=1S/C23H29N3O/c1-2-21-20(14-24-26(21)15-16-6-4-3-5-7-16)22(27)25-23-11-17-8-18(12-23)10-19(9-17)13-23/h3-7,14,17-19H,2,8-13,15H2,1H3,(H,25,27)
InChIKeyIIVUSSCFUBDHTP-UHFFFAOYSA-N
XLogP4.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide
CID 78873081
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120601726
3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347896
1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide
CID 110890160
N-(1-adamantyl)-5-(benzylamino)-1-phenylpyrazole-4-carboxamide
CID 68502715
1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide
CID 78874152
1-benzyl-5-ethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
CID 78873186
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376
1-benzyl-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 78902129

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide (CID 78873962) is N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cnn1Cc1ccccc1.
What is the InChIKey of N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide?
The InChIKey is IIVUSSCFUBDHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-2-21-20(14-24-26(21)15-16-6-4-3-5-7-16)22(27)25-23-11-17-8-18(12-23)10-19(9-17)13-23/h3-7,14,17-19H,2,8-13,15H2,1H3,(H,25,27).
What are the key properties of N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide?
N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 78873962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).