N-[1-(1-adamantyl)pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide

C19H25N5O — CID 4765329

IUPACN-[1-(1-adamantyl)pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C19H25N5O/c1-12-16(11-23(2)21-12)18(25)20-17-3-4-24(22-17)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,11,13-15H,5-10H2,1-2H3,(H,20,22,25)
InChIKeyPLHYGGJPXMYOTH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.10
Rot. Bonds3

About N-[1-(1-adamantyl)pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide

N-[1-(1-adamantyl)pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 4765329) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[1-(1-adamantyl)pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID4765329
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[1-(1-adamantyl)pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C19H25N5O/c1-12-16(11-23(2)21-12)18(25)20-17-3-4-24(22-17)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,11,13-15H,5-10H2,1-2H3,(H,20,22,25)
InChIKeyPLHYGGJPXMYOTH-UHFFFAOYSA-N
XLogP3.10
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide (CID 4765329) is N-[1-(1-adamantyl)pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-[1-(1-adamantyl)pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is PLHYGGJPXMYOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-12-16(11-23(2)21-12)18(25)20-17-3-4-24(22-17)19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,11,13-15H,5-10H2,1-2H3,(H,20,22,25).
What are the key properties of N-[1-(1-adamantyl)pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
N-[1-(1-adamantyl)pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 4765329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).