5-methyl-N-(methylalumanylmethyl)-3,4-dihydropyrazole-2-carboxamide

C7H14AlN3O — CID 163785401

IUPAC5-methyl-N-(methylalumanylmethyl)-3,4-dihydropyrazole-2-carboxamide
SMILESC[AlH]CNC(=O)N1CCC(C)=N1
InChIInChI=1S/C6H10N3O.CH3.Al.H/c1-5-3-4-9(8-5)6(10)7-2;;;/h2-4H2,1H3,(H,7,10);1H3;;
InChIKeyMSCOFXAOYXIUQE-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.22
Rot. Bonds2

About 5-methyl-N-(methylalumanylmethyl)-3,4-dihydropyrazole-2-carboxamide

5-methyl-N-(methylalumanylmethyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 163785401) has the molecular formula C7H14AlN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 5-methyl-N-(methylalumanylmethyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(methylalumanylmethyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID163785401
Molecular FormulaC7H14AlN3O
Molecular Weight183.19 g/mol
Exact Mass183.10
IUPAC Name5-methyl-N-(methylalumanylmethyl)-3,4-dihydropyrazole-2-carboxamide
SMILESC[AlH]CNC(=O)N1CCC(C)=N1
InChIInChI=1S/C6H10N3O.CH3.Al.H/c1-5-3-4-9(8-5)6(10)7-2;;;/h2-4H2,1H3,(H,7,10);1H3;;
InChIKeyMSCOFXAOYXIUQE-UHFFFAOYSA-N
XLogP0.22
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-3,4-dihydropyrazole-2-carboxamide
CID 558088
5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide
CID 163764972
N-ethyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide
CID 175248822

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(methylalumanylmethyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-methyl-N-(methylalumanylmethyl)-3,4-dihydropyrazole-2-carboxamide (CID 163785401) is 5-methyl-N-(methylalumanylmethyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(methylalumanylmethyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-(methylalumanylmethyl)-3,4-dihydropyrazole-2-carboxamide is C[AlH]CNC(=O)N1CCC(C)=N1.
What is the InChIKey of 5-methyl-N-(methylalumanylmethyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is MSCOFXAOYXIUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N3O.CH3.Al.H/c1-5-3-4-9(8-5)6(10)7-2;;;/h2-4H2,1H3,(H,7,10);1H3;;.
What are the key properties of 5-methyl-N-(methylalumanylmethyl)-3,4-dihydropyrazole-2-carboxamide?
5-methyl-N-(methylalumanylmethyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 183.19 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(methylalumanylmethyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 163785401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).