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

C6H9N3O — CID 13450481

IUPACN,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1
InChIInChI=1S/C6H9N3O/c1-9(2)6(10)5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8)
InChIKeyXHOFWFVNVHZGMB-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.11
Rot. Bonds1

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

N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 13450481) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID13450481
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1
InChIInChI=1S/C6H9N3O/c1-9(2)6(10)5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8)
InChIKeyXHOFWFVNVHZGMB-UHFFFAOYSA-N
XLogP0.11
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
5-Amino-N-methyl-1H-pyrazole-4-carboxamide
CID 10844455
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
5-Fluoropyrazole-4-carboxamide
CID 67420506
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-1H-pyrazole-4-carboxamide
CID 43582329
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582804

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 13450481) is N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cn[nH]c1.
What is the InChIKey of N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is XHOFWFVNVHZGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-9(2)6(10)5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8).
What are the key properties of N,N-dimethyl-1H-pyrazole-4-carboxamide?
N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 139.16 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 13450481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).