(2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide

C22H34N4O2 — CID 95777128

IUPAC(2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
SMILESCc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H34N4O2/c1-13(5-19-14(2)25-26(4)15(19)3)21(28)24-23-20(27)12-22-9-16-6-17(10-22)8-18(7-16)11-22/h13,16-18H,5-12H2,1-4H3,(H,23,27)(H,24,28)/t13-,16?,17?,18?,22?/m1/s1
InChIKeyOMGUIGCFEDDNAV-DOFBBEASSA-N
MW386.54 g/mol
LogP2.97
Rot. Bonds5

About (2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide

(2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide (PubChem CID 95777128) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is (2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide.

Molecular Properties

Compound Name(2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
PubChem CID95777128
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name(2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
SMILESCc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H34N4O2/c1-13(5-19-14(2)25-26(4)15(19)3)21(28)24-23-20(27)12-22-9-16-6-17(10-22)8-18(7-16)11-22/h13,16-18H,5-12H2,1-4H3,(H,23,27)(H,24,28)/t13-,16?,17?,18?,22?/m1/s1
InChIKeyOMGUIGCFEDDNAV-DOFBBEASSA-N
XLogP2.97
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
CID 95777525
(2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95778785
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 8881634
2-cyclopropyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 119213844
N'-[2-(1-adamantyl)acetyl]-3,3,3-trifluoro-2-methylpropanehydrazide
CID 75533847
3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170294
N-[(3-hydroxythiolan-3-yl)methyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 111597045
4-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170957
2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 112718318
2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120555639
N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 119612567
(2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 97065139

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide?
The IUPAC name of (2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide (CID 95777128) is (2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide.
What is the SMILES notation for (2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide?
The canonical SMILES for (2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide is Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide?
The InChIKey is OMGUIGCFEDDNAV-DOFBBEASSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-13(5-19-14(2)25-26(4)15(19)3)21(28)24-23-20(27)12-22-9-16-6-17(10-22)8-18(7-16)11-22/h13,16-18H,5-12H2,1-4H3,(H,23,27)(H,24,28)/t13-,16?,17?,18?,22?/m1/s1.
What are the key properties of (2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide?
(2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide has a molecular weight of 386.54 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide is sourced from PubChem (CID 95777128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).