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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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).