1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide

C14H14N4O2 — CID 174751825

IUPAC1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(OCC#N)ccc1Cn1cc(C(N)=O)cn1
InChIInChI=1S/C14H14N4O2/c1-10-6-13(20-5-4-15)3-2-11(10)8-18-9-12(7-17-18)14(16)19/h2-3,6-7,9H,5,8H2,1H3,(H2,16,19)
InChIKeyNVVROHQNPAETRQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.24
Rot. Bonds5

About 1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide

1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide (PubChem CID 174751825) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide
PubChem CID174751825
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(OCC#N)ccc1Cn1cc(C(N)=O)cn1
InChIInChI=1S/C14H14N4O2/c1-10-6-13(20-5-4-15)3-2-11(10)8-18-9-12(7-17-18)14(16)19/h2-3,6-7,9H,5,8H2,1H3,(H2,16,19)
InChIKeyNVVROHQNPAETRQ-UHFFFAOYSA-N
XLogP1.24
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxylic acid
CID 43565362
2-[4-[[2-(4-Methylpyrazol-1-yl)ethylamino]methyl]phenoxy]acetamide
CID 53615582
2-[3-[(4-Methylpyrazol-1-yl)methyl]phenoxy]acetamide
CID 71996928
4-{[3-(4-Methoxy-2-methylphenyl)piperidin-1-yl]carbonyl}-1-methyl-1H-pyrazol-3-amine
CID 117858332
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethoxy-1-ethyl-1H-pyrazole-4-carboxamide
CID 16925400
N-(3,4-dimethoxyphenethyl)-3-propoxy-1-propyl-1H-pyrazole-4-carboxamide
CID 16925523
N-[(4-Ethoxyphenyl)methyl]-3-(1H-pyrazol-1-YL)propanamide
CID 46339342
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-methylpyrazole-4-carboxamide
CID 72008952
3-[4-(3-isopropoxyphenyl)-1H-pyrazol-1-yl]propanamide
CID 72877008
3-[4-(2-fluoro-3-methoxyphenyl)-1H-pyrazol-1-yl]propanamide
CID 72914333
(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 75502186
1-[2-(4-Methoxyphenyl)ethyl]pyrazole-4-carboxamide
CID 84593077

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide (CID 174751825) is 1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide is Cc1cc(OCC#N)ccc1Cn1cc(C(N)=O)cn1.
What is the InChIKey of 1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is NVVROHQNPAETRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-10-6-13(20-5-4-15)3-2-11(10)8-18-9-12(7-17-18)14(16)19/h2-3,6-7,9H,5,8H2,1H3,(H2,16,19).
What are the key properties of 1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide?
1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 174751825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).