methyl 5-[(1-ethyl-3-methylpyrazol-4-yl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

C15H20N6O3 — CID 72925980

IUPACmethyl 5-[(1-ethyl-3-methylpyrazol-4-yl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCn1cc(NC(=O)N2CCc3[nH]nc(C(=O)OC)c3C2)c(C)n1
InChIInChI=1S/C15H20N6O3/c1-4-21-8-12(9(2)19-21)16-15(23)20-6-5-11-10(7-20)13(18-17-11)14(22)24-3/h8H,4-7H2,1-3H3,(H,16,23)(H,17,18)
InChIKeyTWYWMQZAFXIYCW-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.31
Rot. Bonds3

About methyl 5-[(1-ethyl-3-methylpyrazol-4-yl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

methyl 5-[(1-ethyl-3-methylpyrazol-4-yl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 72925980) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is methyl 5-[(1-ethyl-3-methylpyrazol-4-yl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1-ethyl-3-methylpyrazol-4-yl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID72925980
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Namemethyl 5-[(1-ethyl-3-methylpyrazol-4-yl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCn1cc(NC(=O)N2CCc3[nH]nc(C(=O)OC)c3C2)c(C)n1
InChIInChI=1S/C15H20N6O3/c1-4-21-8-12(9(2)19-21)16-15(23)20-6-5-11-10(7-20)13(18-17-11)14(22)24-3/h8H,4-7H2,1-3H3,(H,16,23)(H,17,18)
InChIKeyTWYWMQZAFXIYCW-UHFFFAOYSA-N
XLogP1.31
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-ethyl-3-methylpyrazol-4-yl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[(1-ethyl-3-methylpyrazol-4-yl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (CID 72925980) is methyl 5-[(1-ethyl-3-methylpyrazol-4-yl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[(1-ethyl-3-methylpyrazol-4-yl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[(1-ethyl-3-methylpyrazol-4-yl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is CCn1cc(NC(=O)N2CCc3[nH]nc(C(=O)OC)c3C2)c(C)n1.
What is the InChIKey of methyl 5-[(1-ethyl-3-methylpyrazol-4-yl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is TWYWMQZAFXIYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-4-21-8-12(9(2)19-21)16-15(23)20-6-5-11-10(7-20)13(18-17-11)14(22)24-3/h8H,4-7H2,1-3H3,(H,16,23)(H,17,18).
What are the key properties of methyl 5-[(1-ethyl-3-methylpyrazol-4-yl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
methyl 5-[(1-ethyl-3-methylpyrazol-4-yl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1-ethyl-3-methylpyrazol-4-yl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 72925980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).