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

C18H23N5O — CID 4768141

IUPACN-[1-(1-adamantyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)cn1
InChIInChI=1S/C18H23N5O/c1-22-11-15(10-19-22)17(24)20-16-2-3-23(21-16)18-7-12-4-13(8-18)6-14(5-12)9-18/h2-3,10-14H,4-9H2,1H3,(H,20,21,24)
InChIKeyUZLLYOICOAZYTE-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.79
Rot. Bonds3

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

N-[1-(1-adamantyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 4768141) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[1-(1-adamantyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID4768141
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[1-(1-adamantyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)cn1
InChIInChI=1S/C18H23N5O/c1-22-11-15(10-19-22)17(24)20-16-2-3-23(21-16)18-7-12-4-13(8-18)6-14(5-12)9-18/h2-3,10-14H,4-9H2,1H3,(H,20,21,24)
InChIKeyUZLLYOICOAZYTE-UHFFFAOYSA-N
XLogP2.79
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.79
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-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide (CID 4768141) is N-[1-(1-adamantyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)cn1.
What is the InChIKey of N-[1-(1-adamantyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is UZLLYOICOAZYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22-11-15(10-19-22)17(24)20-16-2-3-23(21-16)18-7-12-4-13(8-18)6-14(5-12)9-18/h2-3,10-14H,4-9H2,1H3,(H,20,21,24).
What are the key properties of N-[1-(1-adamantyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide?
N-[1-(1-adamantyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.79, 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-methylpyrazole-4-carboxamide is sourced from PubChem (CID 4768141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).