N,N-diethyl-1H-pyrazole-4-carboxamide

C8H13N3O — CID 43582299

IUPACN,N-diethyl-1H-pyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O/c1-3-11(4-2)8(12)7-5-9-10-6-7/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyWWOPMQYOVBAZCA-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.89
Rot. Bonds3

About N,N-diethyl-1H-pyrazole-4-carboxamide

N,N-diethyl-1H-pyrazole-4-carboxamide (PubChem CID 43582299) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N,N-diethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1H-pyrazole-4-carboxamide
PubChem CID43582299
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN,N-diethyl-1H-pyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O/c1-3-11(4-2)8(12)7-5-9-10-6-7/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyWWOPMQYOVBAZCA-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

Analyze N,N-diethyl-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
N-((1H-pyrazol-4-yl)methyl)acetamide
CID 60756752
1H-pyrazole-4-carbohydrazide
CID 13031723
1H-Pyrazole-4-carboxamide
CID 17854756
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
5-amino-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13282254
Pyrazole-4-carbonyl azide
CID 63079793
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide
CID 77092439
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1H-pyrazole-4-carboxamide (CID 43582299) is N,N-diethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1H-pyrazole-4-carboxamide is CCN(CC)C(=O)c1cn[nH]c1.
What is the InChIKey of N,N-diethyl-1H-pyrazole-4-carboxamide?
The InChIKey is WWOPMQYOVBAZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-11(4-2)8(12)7-5-9-10-6-7/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of N,N-diethyl-1H-pyrazole-4-carboxamide?
N,N-diethyl-1H-pyrazole-4-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-4-carboxamide is sourced from PubChem (CID 43582299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).