N-(2-adamantyl)-5-(diethylamino)-1-methylpyrazole-4-carboxamide

C19H30N4O — CID 25014248

IUPACN-(2-adamantyl)-5-(diethylamino)-1-methylpyrazole-4-carboxamide
SMILESCCN(CC)c1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1C
InChIInChI=1S/C19H30N4O/c1-4-23(5-2)19-16(11-20-22(19)3)18(24)21-17-14-7-12-6-13(9-14)10-15(17)8-12/h11-15,17H,4-10H2,1-3H3,(H,21,24)
InChIKeyUWJGNOQSNHOOKC-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.82
Rot. Bonds5

About N-(2-adamantyl)-5-(diethylamino)-1-methylpyrazole-4-carboxamide

N-(2-adamantyl)-5-(diethylamino)-1-methylpyrazole-4-carboxamide (PubChem CID 25014248) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-(2-adamantyl)-5-(diethylamino)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-5-(diethylamino)-1-methylpyrazole-4-carboxamide
PubChem CID25014248
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-(2-adamantyl)-5-(diethylamino)-1-methylpyrazole-4-carboxamide
SMILESCCN(CC)c1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1C
InChIInChI=1S/C19H30N4O/c1-4-23(5-2)19-16(11-20-22(19)3)18(24)21-17-14-7-12-6-13(9-14)10-15(17)8-12/h11-15,17H,4-10H2,1-3H3,(H,21,24)
InChIKeyUWJGNOQSNHOOKC-UHFFFAOYSA-N
XLogP2.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-(diethylamino)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-5-(diethylamino)-1-methylpyrazole-4-carboxamide (CID 25014248) is N-(2-adamantyl)-5-(diethylamino)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-5-(diethylamino)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-5-(diethylamino)-1-methylpyrazole-4-carboxamide is CCN(CC)c1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1C.
What is the InChIKey of N-(2-adamantyl)-5-(diethylamino)-1-methylpyrazole-4-carboxamide?
The InChIKey is UWJGNOQSNHOOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-4-23(5-2)19-16(11-20-22(19)3)18(24)21-17-14-7-12-6-13(9-14)10-15(17)8-12/h11-15,17H,4-10H2,1-3H3,(H,21,24).
What are the key properties of N-(2-adamantyl)-5-(diethylamino)-1-methylpyrazole-4-carboxamide?
N-(2-adamantyl)-5-(diethylamino)-1-methylpyrazole-4-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-(diethylamino)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 25014248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).