N,N-diethyl-1H-pyrazole-5-carboxamide

C8H13N3O — CID 5128709

IUPACN,N-diethyl-1H-pyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccn[nH]1
InChIInChI=1S/C8H13N3O/c1-3-11(4-2)8(12)7-5-6-9-10-7/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyUIOHTQSUZMXGHO-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.89
Rot. Bonds3

About N,N-diethyl-1H-pyrazole-5-carboxamide

N,N-diethyl-1H-pyrazole-5-carboxamide (PubChem CID 5128709) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N,N-diethyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1H-pyrazole-5-carboxamide
PubChem CID5128709
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN,N-diethyl-1H-pyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccn[nH]1
InChIInChI=1S/C8H13N3O/c1-3-11(4-2)8(12)7-5-6-9-10-7/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyUIOHTQSUZMXGHO-UHFFFAOYSA-N
XLogP0.89
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N,N-diethyl-1H-pyrazole-5-carboxamide (CID 5128709) is N,N-diethyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N,N-diethyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N,N-diethyl-1H-pyrazole-5-carboxamide is CCN(CC)C(=O)c1ccn[nH]1.
What is the InChIKey of N,N-diethyl-1H-pyrazole-5-carboxamide?
The InChIKey is UIOHTQSUZMXGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-11(4-2)8(12)7-5-6-9-10-7/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of N,N-diethyl-1H-pyrazole-5-carboxamide?
N,N-diethyl-1H-pyrazole-5-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5128709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).