N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide

C17H17N7O — CID 126919969

IUPACN-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CN(c2ccc(-c3ccncc3)nn2)C1)c1cn[nH]c1
InChIInChI=1S/C17H17N7O/c25-17(14-8-20-21-9-14)19-7-12-10-24(11-12)16-2-1-15(22-23-16)13-3-5-18-6-4-13/h1-6,8-9,12H,7,10-11H2,(H,19,25)(H,20,21)
InChIKeyMYDBAOFRUJDKGA-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.13
Rot. Bonds5

About N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide

N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 126919969) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID126919969
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC NameN-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CN(c2ccc(-c3ccncc3)nn2)C1)c1cn[nH]c1
InChIInChI=1S/C17H17N7O/c25-17(14-8-20-21-9-14)19-7-12-10-24(11-12)16-2-1-15(22-23-16)13-3-5-18-6-4-13/h1-6,8-9,12H,7,10-11H2,(H,19,25)(H,20,21)
InChIKeyMYDBAOFRUJDKGA-UHFFFAOYSA-N
XLogP1.13
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 126919987
2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 126919925
2-(2-methyl-1,3-thiazol-5-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126919980
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126921987
1-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]piperidine-3-carboxamide
CID 126919959
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrimidin-2-amine
CID 126920018
2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126919957
1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine
CID 126920097
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
6-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyridazin-3-amine
CID 126920030
6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126920140
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide
CID 126920005

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide (CID 126919969) is N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide is O=C(NCC1CN(c2ccc(-c3ccncc3)nn2)C1)c1cn[nH]c1.
What is the InChIKey of N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is MYDBAOFRUJDKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c25-17(14-8-20-21-9-14)19-7-12-10-24(11-12)16-2-1-15(22-23-16)13-3-5-18-6-4-13/h1-6,8-9,12H,7,10-11H2,(H,19,25)(H,20,21).
What are the key properties of N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 126919969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).