N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide

C14H16N8O — CID 77094882

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cn[nH]c2-n2cnnn2)nc1
InChIInChI=1S/C14H16N8O/c1-3-10-4-5-11(15-6-10)8-21(2)14(23)12-7-16-18-13(12)22-9-17-19-20-22/h4-7,9H,3,8H2,1-2H3,(H,16,18)
InChIKeyRXHXPEPSOCJRBX-UHFFFAOYSA-N
MW312.34 g/mol
LogP0.62
Rot. Bonds5

About N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide

N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide (PubChem CID 77094882) has the molecular formula C14H16N8O and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
PubChem CID77094882
Molecular FormulaC14H16N8O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cn[nH]c2-n2cnnn2)nc1
InChIInChI=1S/C14H16N8O/c1-3-10-4-5-11(15-6-10)8-21(2)14(23)12-7-16-18-13(12)22-9-17-19-20-22/h4-7,9H,3,8H2,1-2H3,(H,16,18)
InChIKeyRXHXPEPSOCJRBX-UHFFFAOYSA-N
XLogP0.62
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide (CID 77094882) is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide is CCc1ccc(CN(C)C(=O)c2cn[nH]c2-n2cnnn2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is RXHXPEPSOCJRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8O/c1-3-10-4-5-11(15-6-10)8-21(2)14(23)12-7-16-18-13(12)22-9-17-19-20-22/h4-7,9H,3,8H2,1-2H3,(H,16,18).
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 77094882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).