N-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide

C20H27N5O — CID 4772039

IUPACN-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)c1C
InChIInChI=1S/C20H27N5O/c1-3-24-13(2)17(12-21-24)19(26)22-18-4-5-25(23-18)20-9-14-6-15(10-20)8-16(7-14)11-20/h4-5,12,14-16H,3,6-11H2,1-2H3,(H,22,23,26)
InChIKeyLQMKXAHCYMBARU-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.59
Rot. Bonds4

About N-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide

N-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide (PubChem CID 4772039) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
PubChem CID4772039
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)c1C
InChIInChI=1S/C20H27N5O/c1-3-24-13(2)17(12-21-24)19(26)22-18-4-5-25(23-18)20-9-14-6-15(10-20)8-16(7-14)11-20/h4-5,12,14-16H,3,6-11H2,1-2H3,(H,22,23,26)
InChIKeyLQMKXAHCYMBARU-UHFFFAOYSA-N
XLogP3.59
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.59
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-ethyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide (CID 4772039) is N-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide is CCn1ncc(C(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)c1C.
What is the InChIKey of N-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide?
The InChIKey is LQMKXAHCYMBARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-24-13(2)17(12-21-24)19(26)22-18-4-5-25(23-18)20-9-14-6-15(10-20)8-16(7-14)11-20/h4-5,12,14-16H,3,6-11H2,1-2H3,(H,22,23,26).
What are the key properties of N-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide?
N-[1-(1-adamantyl)pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.59, 4 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-ethyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 4772039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).