N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide

C14H19N5O2 — CID 31846147

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)Cc2cnn(C)c2)ccc1=O
InChIInChI=1S/C14H19N5O2/c1-4-7-19-13(20)6-5-12(16-19)14(21)17(2)9-11-8-15-18(3)10-11/h5-6,8,10H,4,7,9H2,1-3H3
InChIKeyGJHAEGIPRPEIED-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.66
Rot. Bonds5

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 31846147) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID31846147
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)Cc2cnn(C)c2)ccc1=O
InChIInChI=1S/C14H19N5O2/c1-4-7-19-13(20)6-5-12(16-19)14(21)17(2)9-11-8-15-18(3)10-11/h5-6,8,10H,4,7,9H2,1-3H3
InChIKeyGJHAEGIPRPEIED-UHFFFAOYSA-N
XLogP0.66
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 31845207
1-(2-methoxyethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 32358744
4-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one
CID 56802277
6-methyl-1-[3-(4-methyl-1H-pyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2(1H)-one
CID 72886307
N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide
CID 97390065
1-(Cyclopropylmethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97390071
1-[2-(Dimethylamino)ethyl]-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97466790
6-(4-(2-(1H-pyrazol-1-yl)ethyl)piperazine-1-carbonyl)-2-methylpyridazin-3(2H)-one
CID 52907322
5-(dimethylamino)-2-[3-(4-methyl-1H-pyrazol-1-yl)propyl]pyridazin-3(2H)-one
CID 72938277
6-ethyl-N,1,5-trimethyl-2-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-1,2-dihydropyridine-3-carboxamide
CID 77091362
1-ethyl-N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 77093642
6-oxo-N-[(1-propyl-1H-pyrazol-4-yl)methyl]-1,6-dihydropyridine-3-carboxamide
CID 91761019

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 31846147) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)N(C)Cc2cnn(C)c2)ccc1=O.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is GJHAEGIPRPEIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-7-19-13(20)6-5-12(16-19)14(21)17(2)9-11-8-15-18(3)10-11/h5-6,8,10H,4,7,9H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 31846147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).