1-(cyclohexylmethyl)-5-phenylmethoxy-N-(trideuteriomethyl)pyrazole-3-carboxamide

C19H25N3O2 — CID 151018640

IUPAC1-(cyclohexylmethyl)-5-phenylmethoxy-N-(trideuteriomethyl)pyrazole-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cc(OCc2ccccc2)n(CC2CCCCC2)n1
InChIInChI=1S/C19H25N3O2/c1-20-19(23)17-12-18(24-14-16-10-6-3-7-11-16)22(21-17)13-15-8-4-2-5-9-15/h3,6-7,10-12,15H,2,4-5,8-9,13-14H2,1H3,(H,20,23)/i1D3
InChIKeyLXPQJGWWOYWNAG-FIBGUPNXSA-N
MW330.45 g/mol
LogP3.40
Rot. Bonds7

About 1-(cyclohexylmethyl)-5-phenylmethoxy-N-(trideuteriomethyl)pyrazole-3-carboxamide

1-(cyclohexylmethyl)-5-phenylmethoxy-N-(trideuteriomethyl)pyrazole-3-carboxamide (PubChem CID 151018640) has the molecular formula C19H25N3O2 and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-phenylmethoxy-N-(trideuteriomethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-phenylmethoxy-N-(trideuteriomethyl)pyrazole-3-carboxamide
PubChem CID151018640
Molecular FormulaC19H25N3O2
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC Name1-(cyclohexylmethyl)-5-phenylmethoxy-N-(trideuteriomethyl)pyrazole-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cc(OCc2ccccc2)n(CC2CCCCC2)n1
InChIInChI=1S/C19H25N3O2/c1-20-19(23)17-12-18(24-14-16-10-6-3-7-11-16)22(21-17)13-15-8-4-2-5-9-15/h3,6-7,10-12,15H,2,4-5,8-9,13-14H2,1H3,(H,20,23)/i1D3
InChIKeyLXPQJGWWOYWNAG-FIBGUPNXSA-N
XLogP3.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(cyclopentylmethyl)-5-phenylmethoxypyrazol-3-yl]-N-methylmethanamine
CID 66665075
[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol
CID 135230550
1-[1-(cyclohexylmethyl)-5-[(3-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
CID 56600351
ethyl 1-(oxan-2-yl)-5-phenylmethoxypyrazole-3-carboxylate
CID 156847124
methyl 2-[[(3S)-3-[[1-(cyclohexylmethyl)-5-(2-methoxy-6-phenylmethoxyphenyl)pyrazole-3-carbonyl]amino]-5-methylhexanoyl]amino]acetate
CID 118568873
N-[1-(butylamino)-4-methyl-1-oxopentan-3-yl]-1-(cyclohexylmethyl)-5-(2-methoxy-6-phenylmethoxyphenyl)pyrazole-3-carboxamide
CID 122414317
1-[1-(cyclopentylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 66665335
N-(cyclopropylmethyl)-N,1-dimethyl-5-phenylmethoxypyrazole-3-carboxamide
CID 95748648
1-benzyl-3-N-cyclopropyl-5-N-methylpyrazole-3,5-dicarboxamide
CID 146962352
5-[(3-carboxyphenyl)methoxy]-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]pyrazole-3-carboxylic acid
CID 21062936
5-[(2-ethoxyphenyl)methoxy]-1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]pyrazole-3-carboxylic acid
CID 11620402
1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 90351294

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-phenylmethoxy-N-(trideuteriomethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-5-phenylmethoxy-N-(trideuteriomethyl)pyrazole-3-carboxamide (CID 151018640) is 1-(cyclohexylmethyl)-5-phenylmethoxy-N-(trideuteriomethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-phenylmethoxy-N-(trideuteriomethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-5-phenylmethoxy-N-(trideuteriomethyl)pyrazole-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cc(OCc2ccccc2)n(CC2CCCCC2)n1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-phenylmethoxy-N-(trideuteriomethyl)pyrazole-3-carboxamide?
The InChIKey is LXPQJGWWOYWNAG-FIBGUPNXSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-20-19(23)17-12-18(24-14-16-10-6-3-7-11-16)22(21-17)13-15-8-4-2-5-9-15/h3,6-7,10-12,15H,2,4-5,8-9,13-14H2,1H3,(H,20,23)/i1D3.
What are the key properties of 1-(cyclohexylmethyl)-5-phenylmethoxy-N-(trideuteriomethyl)pyrazole-3-carboxamide?
1-(cyclohexylmethyl)-5-phenylmethoxy-N-(trideuteriomethyl)pyrazole-3-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-phenylmethoxy-N-(trideuteriomethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 151018640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).