N-(1-adamantylmethyl)-5-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrazole-3-carboxamide

C19H29N3O2 — CID 68769387

IUPACN-(1-adamantylmethyl)-5-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC(C)(CO)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)n[nH]1
InChIInChI=1S/C19H29N3O2/c1-18(2,11-23)16-6-15(21-22-16)17(24)20-10-19-7-12-3-13(8-19)5-14(4-12)9-19/h6,12-14,23H,3-5,7-11H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyGVVGBGZYRXNZIY-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.63
Rot. Bonds5

About N-(1-adamantylmethyl)-5-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrazole-3-carboxamide

N-(1-adamantylmethyl)-5-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 68769387) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-5-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-5-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID68769387
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(1-adamantylmethyl)-5-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC(C)(CO)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)n[nH]1
InChIInChI=1S/C19H29N3O2/c1-18(2,11-23)16-6-15(21-22-16)17(24)20-10-19-7-12-3-13(8-19)5-14(4-12)9-19/h6,12-14,23H,3-5,7-11H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyGVVGBGZYRXNZIY-UHFFFAOYSA-N
XLogP2.63
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-4-bromo-1H-pyrazole-5-carboxamide
CID 19511346
N-(1-adamantylmethyl)-4-iodo-1H-pyrazole-5-carboxamide
CID 19479917
N-(1-adamantylmethyl)-3-iodobenzamide
CID 7921302
(2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide
CID 103929652
5-tert-butyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 110848079
N-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4916081
3-(1-adamantylmethylcarbamoyl)-4-chlorobenzoic acid
CID 18381486
N-(1-adamantylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474036
3-(1-adamantylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19498248
N-(1-adamantylmethyl)-1,2-oxazole-5-carboxamide
CID 143497665
N-(1-adamantylmethyl)naphthalene-2-carboxamide
CID 4284451
N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide
CID 110833128

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-5-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-5-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrazole-3-carboxamide (CID 68769387) is N-(1-adamantylmethyl)-5-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-5-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-5-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrazole-3-carboxamide is CC(C)(CO)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)n[nH]1.
What is the InChIKey of N-(1-adamantylmethyl)-5-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is GVVGBGZYRXNZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-18(2,11-23)16-6-15(21-22-16)17(24)20-10-19-7-12-3-13(8-19)5-14(4-12)9-19/h6,12-14,23H,3-5,7-11H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-(1-adamantylmethyl)-5-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrazole-3-carboxamide?
N-(1-adamantylmethyl)-5-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-5-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 68769387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).