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

C15H20N6O2 — CID 91909566

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)C1CCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C15H20N6O2/c1-9-13(10(2)19-18-9)7-16-15(23)11-3-4-21(8-11)12-5-14(22)20-17-6-12/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,23)(H,18,19)(H,20,22)
InChIKeyCZGUTKUOILTCHC-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.25
Rot. Bonds4

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

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 91909566) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
PubChem CID91909566
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)C1CCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C15H20N6O2/c1-9-13(10(2)19-18-9)7-16-15(23)11-3-4-21(8-11)12-5-14(22)20-17-6-12/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,23)(H,18,19)(H,20,22)
InChIKeyCZGUTKUOILTCHC-UHFFFAOYSA-N
XLogP0.25
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidinecarboxamide
CID 91909579
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
3,5-dimethyl-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-pyrazole-4-carboxamide
CID 100751184
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
CID 124753671
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 125521588
3,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 61260777
1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899711
2-methyl-N-[[1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methyl]propanamide
CID 155963917
3,5-dimethyl-N-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-6-yl)-1H-pyrazole-4-carboxamide
CID 91818357
1-allyl-N-({1-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-4-yl}methyl)-5-oxopyrrolidine-3-carboxamide
CID 131950360
N-[6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 18172922

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide (CID 91909566) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide is Cc1n[nH]c(C)c1CNC(=O)C1CCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is CZGUTKUOILTCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-9-13(10(2)19-18-9)7-16-15(23)11-3-4-21(8-11)12-5-14(22)20-17-6-12/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,23)(H,18,19)(H,20,22).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91909566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).