N-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide

C14H17N3O3 — CID 87192160

IUPACN-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCOc1ccc(Cn2nccc2C(=O)N(C)OC)cc1
InChIInChI=1S/C14H17N3O3/c1-16(20-3)14(18)13-8-9-15-17(13)10-11-4-6-12(19-2)7-5-11/h4-9H,10H2,1-3H3
InChIKeyPNOQUYGMRFGENY-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.57
Rot. Bonds5

About N-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide

N-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 87192160) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
PubChem CID87192160
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCOc1ccc(Cn2nccc2C(=O)N(C)OC)cc1
InChIInChI=1S/C14H17N3O3/c1-16(20-3)14(18)13-8-9-15-17(13)10-11-4-6-12(19-2)7-5-11/h4-9H,10H2,1-3H3
InChIKeyPNOQUYGMRFGENY-UHFFFAOYSA-N
XLogP1.57
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
CID 10330920
N,N-dimethyl-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazole-3-carboxamide
CID 137412737
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579932
2-[(4-chlorophenyl)methyl]pyrazole-3-carboxylic acid
CID 60780144
3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide
CID 171547824
(2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid
CID 97277528
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butan-1-ol
CID 68594297
(2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579924
2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide
CID 158218953
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 35579074
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of N-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide (CID 87192160) is N-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for N-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide is COc1ccc(Cn2nccc2C(=O)N(C)OC)cc1.
What is the InChIKey of N-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is PNOQUYGMRFGENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-16(20-3)14(18)13-8-9-15-17(13)10-11-4-6-12(19-2)7-5-11/h4-9H,10H2,1-3H3.
What are the key properties of N-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide?
N-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 87192160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).