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

C18H24N6O2 — CID 91909579

IUPAC1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C18H24N6O2/c1-12-15(8-20-22-12)7-19-18(26)14-4-5-23(11-14)16-6-17(25)24(21-9-16)10-13-2-3-13/h6,8-9,13-14H,2-5,7,10-11H2,1H3,(H,19,26)(H,20,22)
InChIKeyZVPHOWUZRMPVCL-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.83
Rot. Bonds6

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

1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 91909579) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID91909579
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C18H24N6O2/c1-12-15(8-20-22-12)7-19-18(26)14-4-5-23(11-14)16-6-17(25)24(21-9-16)10-13-2-3-13/h6,8-9,13-14H,2-5,7,10-11H2,1H3,(H,19,26)(H,20,22)
InChIKeyZVPHOWUZRMPVCL-UHFFFAOYSA-N
XLogP0.83
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-Dimethyl-1H-pyrazol-4-YL)methyl]-1-(6-oxo-1,6-dihydropyridazin-4-YL)pyrrolidine-3-carboxamide
CID 91909566
N-[(5-Methyl-1H-pyrazol-4-YL)methyl]-1-(6-oxo-1,6-dihydropyridazin-4-YL)pyrrolidine-3-carboxamide
CID 91920234
1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidinecarboxamide
CID 91920245
N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide
CID 75425496
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 86808415
5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 62866358
(3S,4S)-1-tert-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 137876516
5-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)pyrrolidin-3-yl]methyl}-1-propyl-1H-pyrazole-4-carboxamide
CID 45221264
N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 60767434
N-(1,6-dihydropyridazin-5-yl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 70837995
N-[(4,6-diethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 172795901
(3S)-3-amino-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 39220911

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 91909579) is 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide is Cc1[nH]ncc1CNC(=O)C1CCN(c2cnn(CC3CC3)c(=O)c2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is ZVPHOWUZRMPVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12-15(8-20-22-12)7-19-18(26)14-4-5-23(11-14)16-6-17(25)24(21-9-16)10-13-2-3-13/h6,8-9,13-14H,2-5,7,10-11H2,1H3,(H,19,26)(H,20,22).
What are the key properties of 1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 0.83, 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-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 91909579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).