ethyl 1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C19H27N5O3 — CID 26140905

IUPACethyl 1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1cc(C)[nH]n1)CC2
InChIInChI=1S/C19H27N5O3/c1-5-27-19(26)17-14-11-23(18(25)15-10-13(4)20-21-15)8-7-16(14)24(22-17)9-6-12(2)3/h10,12H,5-9,11H2,1-4H3,(H,20,21)
InChIKeyAAOYZPNGVVZVMW-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.34
Rot. Bonds6

About ethyl 1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26140905) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is ethyl 1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26140905
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Nameethyl 1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1cc(C)[nH]n1)CC2
InChIInChI=1S/C19H27N5O3/c1-5-27-19(26)17-14-11-23(18(25)15-10-13(4)20-21-15)8-7-16(14)24(22-17)9-6-12(2)3/h10,12H,5-9,11H2,1-4H3,(H,20,21)
InChIKeyAAOYZPNGVVZVMW-UHFFFAOYSA-N
XLogP2.34
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26140905) is ethyl 1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1cc(C)[nH]n1)CC2.
What is the InChIKey of ethyl 1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is AAOYZPNGVVZVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-5-27-19(26)17-14-11-23(18(25)15-10-13(4)20-21-15)8-7-16(14)24(22-17)9-6-12(2)3/h10,12H,5-9,11H2,1-4H3,(H,20,21).
What are the key properties of ethyl 1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 373.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26140905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).