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

C14H18N6O2 — CID 91920234

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C14H18N6O2/c1-9-11(6-16-18-9)5-15-14(22)10-2-3-20(8-10)12-4-13(21)19-17-7-12/h4,6-7,10H,2-3,5,8H2,1H3,(H,15,22)(H,16,18)(H,19,21)
InChIKeyYKFITZMUBCIHAA-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.06
Rot. Bonds4

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

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 91920234) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
PubChem CID91920234
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C14H18N6O2/c1-9-11(6-16-18-9)5-15-14(22)10-2-3-20(8-10)12-4-13(21)19-17-7-12/h4,6-7,10H,2-3,5,8H2,1H3,(H,15,22)(H,16,18)(H,19,21)
InChIKeyYKFITZMUBCIHAA-UHFFFAOYSA-N
XLogP-0.06
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidinecarboxamide
CID 91909579
1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidinecarboxamide
CID 91920245
2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 43747825
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
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227640
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 61004755
5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 62866358
(3S,4S)-1-(5-methyl-1H-pyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963637
(3-fluoro-3-methylpyrrolidin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 126787459
[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 129349196

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide (CID 91920234) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide is Cc1[nH]ncc1CNC(=O)C1CCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is YKFITZMUBCIHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-9-11(6-16-18-9)5-15-14(22)10-2-3-20(8-10)12-4-13(21)19-17-7-12/h4,6-7,10H,2-3,5,8H2,1H3,(H,15,22)(H,16,18)(H,19,21).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 302.34 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91920234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).