N,N,5-trimethyl-1H-pyrazole-3-carboxamide

C7H11N3O — CID 45074587

IUPACN,N,5-trimethyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C)n[nH]1
InChIInChI=1S/C7H11N3O/c1-5-4-6(9-8-5)7(11)10(2)3/h4H,1-3H3,(H,8,9)
InChIKeyWPOCPFGXSWKZGZ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.42
Rot. Bonds1

About N,N,5-trimethyl-1H-pyrazole-3-carboxamide

N,N,5-trimethyl-1H-pyrazole-3-carboxamide (PubChem CID 45074587) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is N,N,5-trimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-1H-pyrazole-3-carboxamide
PubChem CID45074587
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC NameN,N,5-trimethyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C)n[nH]1
InChIInChI=1S/C7H11N3O/c1-5-4-6(9-8-5)7(11)10(2)3/h4H,1-3H3,(H,8,9)
InChIKeyWPOCPFGXSWKZGZ-UHFFFAOYSA-N
XLogP0.42
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1H-pyrazole-5-carbohydrazide
CID 737234
5-methyl-3-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 852807
5-methyl-N-(6-sulfanylhexyl)-1H-pyrazole-3-carboxamide
CID 127027020
3-Methyl-1H-pyrazole-5-carboxamide
CID 15920410
N,1,5-trimethyl-1H-pyrazole-3-carboxamide
CID 19279808
N-cyclopentyl-5-methyl-1H-pyrazole-3-carboxamide
CID 53017399
3-methyl-N'-(1,2,2-trimethylpropylidene)-1H-pyrazole-5-carbohydrazide
CID 5411186
1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 2743273
N,N-dimethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1229878
1H-pyrazole-3,5-dicarboxamide
CID 54569038
N3,N5-dimethyl-1H-pyrazole-3,5-dicarboxamide
CID 85679562
N-[2-(1-cyclohexen-1-yl)ethyl]-3-propyl-1H-pyrazole-5-carboxamide
CID 37201814

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N,N,5-trimethyl-1H-pyrazole-3-carboxamide (CID 45074587) is N,N,5-trimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N,N,5-trimethyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C)n[nH]1.
What is the InChIKey of N,N,5-trimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is WPOCPFGXSWKZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-4-6(9-8-5)7(11)10(2)3/h4H,1-3H3,(H,8,9).
What are the key properties of N,N,5-trimethyl-1H-pyrazole-3-carboxamide?
N,N,5-trimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 153.18 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 45074587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).