1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide

C19H26N6O2 — CID 91920245

IUPAC1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)C1CCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C19H26N6O2/c1-12-17(13(2)23-22-12)9-20-19(27)15-5-6-24(11-15)16-7-18(26)25(21-8-16)10-14-3-4-14/h7-8,14-15H,3-6,9-11H2,1-2H3,(H,20,27)(H,22,23)
InChIKeyIGMUYKSTFSVJDI-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.14
Rot. Bonds6

About 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide

1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 91920245) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID91920245
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)C1CCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C19H26N6O2/c1-12-17(13(2)23-22-12)9-20-19(27)15-5-6-24(11-15)16-7-18(26)25(21-8-16)10-14-3-4-14/h7-8,14-15H,3-6,9-11H2,1-2H3,(H,20,27)(H,22,23)
InChIKeyIGMUYKSTFSVJDI-UHFFFAOYSA-N
XLogP1.14
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 91920245) is 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide is Cc1n[nH]c(C)c1CNC(=O)C1CCN(c2cnn(CC3CC3)c(=O)c2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is IGMUYKSTFSVJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-12-17(13(2)23-22-12)9-20-19(27)15-5-6-24(11-15)16-7-18(26)25(21-8-16)10-14-3-4-14/h7-8,14-15H,3-6,9-11H2,1-2H3,(H,20,27)(H,22,23).
What are the key properties of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 91920245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).