5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide

C8H16AlN3O — CID 163764972

IUPAC5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide
SMILESC[AlH][C@H](C)NC(=O)N1CCC(C)=N1
InChIInChI=1S/C7H12N3O.CH3.Al.H/c1-3-8-7(11)10-5-4-6(2)9-10;;;/h3H,4-5H2,1-2H3,(H,8,11);1H3;;
InChIKeyMBLRLGQYCGONKG-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.61
Rot. Bonds2

About 5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide

5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 163764972) has the molecular formula C8H16AlN3O and a molecular weight of 197.22 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID163764972
Molecular FormulaC8H16AlN3O
Molecular Weight197.22 g/mol
Exact Mass197.11
IUPAC Name5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide
SMILESC[AlH][C@H](C)NC(=O)N1CCC(C)=N1
InChIInChI=1S/C7H12N3O.CH3.Al.H/c1-3-8-7(11)10-5-4-6(2)9-10;;;/h3H,4-5H2,1-2H3,(H,8,11);1H3;;
InChIKeyMBLRLGQYCGONKG-UHFFFAOYSA-N
XLogP0.61
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-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,5-dipentyl-3,4-dihydropyrazole-2-carboxamide
CID 67944750
5-methyl-N-(methylalumanylmethyl)-3,4-dihydropyrazole-2-carboxamide
CID 163785401
N-tert-butyl-5-methyl-3,4-dihydropyrazole-2-carboxamide
CID 163935981
N-ethyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide
CID 175248822

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide (CID 163764972) is 5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide is C[AlH][C@H](C)NC(=O)N1CCC(C)=N1.
What is the InChIKey of 5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is MBLRLGQYCGONKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N3O.CH3.Al.H/c1-3-8-7(11)10-5-4-6(2)9-10;;;/h3H,4-5H2,1-2H3,(H,8,11);1H3;;.
What are the key properties of 5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide?
5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 197.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R)-1-methylalumanylethyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 163764972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).