N-(1-adamantylmethyl)-1H-pyrazole-4-carboxamide

C15H21N3O — CID 60770882

IUPACN-(1-adamantylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cn[nH]c1
InChIInChI=1S/C15H21N3O/c19-14(13-7-17-18-8-13)16-9-15-4-10-1-11(5-15)3-12(2-10)6-15/h7-8,10-12H,1-6,9H2,(H,16,19)(H,17,18)
InChIKeyWQVTYNZNNHJALV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.36
Rot. Bonds3

About N-(1-adamantylmethyl)-1H-pyrazole-4-carboxamide

N-(1-adamantylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 60770882) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID60770882
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1-adamantylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cn[nH]c1
InChIInChI=1S/C15H21N3O/c19-14(13-7-17-18-8-13)16-9-15-4-10-1-11(5-15)3-12(2-10)6-15/h7-8,10-12H,1-6,9H2,(H,16,19)(H,17,18)
InChIKeyWQVTYNZNNHJALV-UHFFFAOYSA-N
XLogP2.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-1H-pyrazole-4-carboxamide (CID 60770882) is N-(1-adamantylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-1H-pyrazole-4-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1cn[nH]c1.
What is the InChIKey of N-(1-adamantylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is WQVTYNZNNHJALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-14(13-7-17-18-8-13)16-9-15-4-10-1-11(5-15)3-12(2-10)6-15/h7-8,10-12H,1-6,9H2,(H,16,19)(H,17,18).
What are the key properties of N-(1-adamantylmethyl)-1H-pyrazole-4-carboxamide?
N-(1-adamantylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60770882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).