methyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate

C18H21N5O3 — CID 95748276

IUPACmethyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)CCn1ncc2cc(C)ccc21
InChIInChI=1S/C18H21N5O3/c1-11-5-6-14-13(9-11)10-19-23(14)8-7-15(24)20-16-12(2)22(3)21-17(16)18(25)26-4/h5-6,9-10H,7-8H2,1-4H3,(H,20,24)
InChIKeyULTFKWUUKAPYHO-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.20
Rot. Bonds5

About methyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate

methyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate (PubChem CID 95748276) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is methyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate
PubChem CID95748276
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Namemethyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)CCn1ncc2cc(C)ccc21
InChIInChI=1S/C18H21N5O3/c1-11-5-6-14-13(9-11)10-19-23(14)8-7-15(24)20-16-12(2)22(3)21-17(16)18(25)26-4/h5-6,9-10H,7-8H2,1-4H3,(H,20,24)
InChIKeyULTFKWUUKAPYHO-UHFFFAOYSA-N
XLogP2.20
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748152
methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate
CID 95748425
methyl 2-(5-methylindazol-1-yl)acetate
CID 13337773
3-(5-methylindazol-1-yl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 75358553
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3-(5-methylindazol-1-yl)propanamide
CID 95755256
methyl 4-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748126
methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 95748419
methyl 4-[[2-(4-fluorophenoxy)acetyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748123
methyl 1,5-dimethyl-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-3-carboxylate
CID 95748149
3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide
CID 91957995
methyl 1,4,5-trimethylpyrazole-3-carboxylate
CID 144787574
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one
CID 95754598

Frequently Asked Questions

What is the IUPAC name of methyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate?
The IUPAC name of methyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate (CID 95748276) is methyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate is COC(=O)c1nn(C)c(C)c1NC(=O)CCn1ncc2cc(C)ccc21.
What is the InChIKey of methyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate?
The InChIKey is ULTFKWUUKAPYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-11-5-6-14-13(9-11)10-19-23(14)8-7-15(24)20-16-12(2)22(3)21-17(16)18(25)26-4/h5-6,9-10H,7-8H2,1-4H3,(H,20,24).
What are the key properties of methyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate?
methyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate has a molecular weight of 355.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate is sourced from PubChem (CID 95748276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).