N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide

C22H27N3O — CID 24612713

IUPACN-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide
SMILESO=C(NCc1ccccc1Cn1cccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H27N3O/c26-21(22-11-16-8-17(12-22)10-18(9-16)13-22)23-14-19-4-1-2-5-20(19)15-25-7-3-6-24-25/h1-7,16-18H,8-15H2,(H,23,26)
InChIKeyFUZRAHNWBXLRCS-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.76
Rot. Bonds5

About N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide

N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide (PubChem CID 24612713) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide
PubChem CID24612713
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide
SMILESO=C(NCc1ccccc1Cn1cccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H27N3O/c26-21(22-11-16-8-17(12-22)10-18(9-16)13-22)23-14-19-4-1-2-5-20(19)15-25-7-3-6-24-25/h1-7,16-18H,8-15H2,(H,23,26)
InChIKeyFUZRAHNWBXLRCS-UHFFFAOYSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31953910
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)adamantane-1-carboxamide
CID 71790687
2-(cyclopropylmethylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119697944
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
CID 35955520
(1S,2S,4R)-2-ethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 154821685
(1S,3S,4S)-3-amino-4-hydroxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 155505277
1-[(1-phenylcyclobutyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55502520
1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 110933208
4-(1,3-dithiolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24560815
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]urea
CID 97014256
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741

Frequently Asked Questions

What is the IUPAC name of N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide (CID 24612713) is N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide is O=C(NCc1ccccc1Cn1cccn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide?
The InChIKey is FUZRAHNWBXLRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-21(22-11-16-8-17(12-22)10-18(9-16)13-22)23-14-19-4-1-2-5-20(19)15-25-7-3-6-24-25/h1-7,16-18H,8-15H2,(H,23,26).
What are the key properties of N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide?
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 24612713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).