N-(2-adamantyl)-1-methyl-5-(propan-2-ylamino)pyrazole-4-carboxamide

C18H28N4O — CID 25013378

IUPACN-(2-adamantyl)-1-methyl-5-(propan-2-ylamino)pyrazole-4-carboxamide
SMILESCC(C)Nc1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1C
InChIInChI=1S/C18H28N4O/c1-10(2)20-17-15(9-19-22(17)3)18(23)21-16-13-5-11-4-12(7-13)8-14(16)6-11/h9-14,16,20H,4-8H2,1-3H3,(H,21,23)
InChIKeyRAQPMMTTYBAJEW-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.79
Rot. Bonds4

About N-(2-adamantyl)-1-methyl-5-(propan-2-ylamino)pyrazole-4-carboxamide

N-(2-adamantyl)-1-methyl-5-(propan-2-ylamino)pyrazole-4-carboxamide (PubChem CID 25013378) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(2-adamantyl)-1-methyl-5-(propan-2-ylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-methyl-5-(propan-2-ylamino)pyrazole-4-carboxamide
PubChem CID25013378
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-(2-adamantyl)-1-methyl-5-(propan-2-ylamino)pyrazole-4-carboxamide
SMILESCC(C)Nc1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1C
InChIInChI=1S/C18H28N4O/c1-10(2)20-17-15(9-19-22(17)3)18(23)21-16-13-5-11-4-12(7-13)8-14(16)6-11/h9-14,16,20H,4-8H2,1-3H3,(H,21,23)
InChIKeyRAQPMMTTYBAJEW-UHFFFAOYSA-N
XLogP2.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-methyl-5-(propan-2-ylamino)pyrazole-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-methyl-5-(propan-2-ylamino)pyrazole-4-carboxamide (CID 25013378) is N-(2-adamantyl)-1-methyl-5-(propan-2-ylamino)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-methyl-5-(propan-2-ylamino)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-methyl-5-(propan-2-ylamino)pyrazole-4-carboxamide is CC(C)Nc1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1C.
What is the InChIKey of N-(2-adamantyl)-1-methyl-5-(propan-2-ylamino)pyrazole-4-carboxamide?
The InChIKey is RAQPMMTTYBAJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-10(2)20-17-15(9-19-22(17)3)18(23)21-16-13-5-11-4-12(7-13)8-14(16)6-11/h9-14,16,20H,4-8H2,1-3H3,(H,21,23).
What are the key properties of N-(2-adamantyl)-1-methyl-5-(propan-2-ylamino)pyrazole-4-carboxamide?
N-(2-adamantyl)-1-methyl-5-(propan-2-ylamino)pyrazole-4-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-methyl-5-(propan-2-ylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 25013378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).