N-(1H-pyrazol-5-ylmethyl)adamantane-1-carboxamide

C15H21N3O — CID 4768841

IUPACN-(1H-pyrazol-5-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H21N3O/c19-14(16-9-13-1-2-17-18-13)15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12H,3-9H2,(H,16,19)(H,17,18)
InChIKeyWKUVIIRTDPOYEP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.24
Rot. Bonds3

About N-(1H-pyrazol-5-ylmethyl)adamantane-1-carboxamide

N-(1H-pyrazol-5-ylmethyl)adamantane-1-carboxamide (PubChem CID 4768841) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)adamantane-1-carboxamide
PubChem CID4768841
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1H-pyrazol-5-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H21N3O/c19-14(16-9-13-1-2-17-18-13)15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12H,3-9H2,(H,16,19)(H,17,18)
InChIKeyWKUVIIRTDPOYEP-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)adamantane-1-carboxamide (CID 4768841) is N-(1H-pyrazol-5-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)adamantane-1-carboxamide is O=C(NCc1ccn[nH]1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)adamantane-1-carboxamide?
The InChIKey is WKUVIIRTDPOYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-14(16-9-13-1-2-17-18-13)15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12H,3-9H2,(H,16,19)(H,17,18).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)adamantane-1-carboxamide?
N-(1H-pyrazol-5-ylmethyl)adamantane-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 4768841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).