4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

C22H34N4O2 — CID 19402498

IUPAC4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C22H34N4O2/c1-4-26-13-18(20(25-26)21(28)23-12-14(2)3)24-19(27)11-22-8-15-5-16(9-22)7-17(6-15)10-22/h13-17H,4-12H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyJFUIDNZYZCYUOZ-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.83
Rot. Bonds7

About 4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 19402498) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID19402498
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C22H34N4O2/c1-4-26-13-18(20(25-26)21(28)23-12-14(2)3)24-19(27)11-22-8-15-5-16(9-22)7-17(6-15)10-22/h13-17H,4-12H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyJFUIDNZYZCYUOZ-UHFFFAOYSA-N
XLogP3.83
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-adamantyl)-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 4671711
4-Cyclohexaneamido-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 19410657
4-(3-Cycloheptylpropanoylamino)-1-methylpyrazole-3-carboxamide
CID 136551076
N-(1-adamantylmethyl)-1-(difluoromethyl)pyrazole-3-carboxamide
CID 4769597
N-[1-(1-adamantyl)ethyl]-1-(difluoromethyl)-1H-pyrazole-3-carboxamide
CID 4771164
N-[1-(1-adamantyl)propyl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19268535
N-[(1S)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 40621858
N-[(1R)-1-(1-adamantyl)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 40761681
4-[[2-(7,7-Difluoro-1-bicyclo[4.1.0]heptanyl)acetyl]amino]-1-methylpyrazole-3-carboxamide
CID 132323689
1-Ethyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pyrazole-3-carboxamide
CID 132386529
4-[(3,3-Difluorocyclohexanecarbonyl)amino]-1-ethylpyrazole-3-carboxamide
CID 146130721
N-adamantanyl(1-methyl-4-nitropyrazol-3-yl)carboxamide
CID 3889393

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 19402498) is 4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is CCn1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C(=O)NCC(C)C)n1.
What is the InChIKey of 4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is JFUIDNZYZCYUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-4-26-13-18(20(25-26)21(28)23-12-14(2)3)24-19(27)11-22-8-15-5-16(9-22)7-17(6-15)10-22/h13-17H,4-12H2,1-3H3,(H,23,28)(H,24,27).
What are the key properties of 4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-adamantyl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19402498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).