N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide

C19H26N6O — CID 126917778

IUPACN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)c1ccc(N2CC(CNC(=O)c3cc(C4CC4)[nH]n3)C2)nn1
InChIInChI=1S/C19H26N6O/c1-19(2,3)16-6-7-17(24-23-16)25-10-12(11-25)9-20-18(26)15-8-14(21-22-15)13-4-5-13/h6-8,12-13H,4-5,9-11H2,1-3H3,(H,20,26)(H,21,22)
InChIKeyRSOHKTNVWSIEQF-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.24
Rot. Bonds5

About N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide

N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 126917778) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID126917778
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)c1ccc(N2CC(CNC(=O)c3cc(C4CC4)[nH]n3)C2)nn1
InChIInChI=1S/C19H26N6O/c1-19(2,3)16-6-7-17(24-23-16)25-10-12(11-25)9-20-18(26)15-8-14(21-22-15)13-4-5-13/h6-8,12-13H,4-5,9-11H2,1-3H3,(H,20,26)(H,21,22)
InChIKeyRSOHKTNVWSIEQF-UHFFFAOYSA-N
XLogP2.24
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 126916679
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126917753
1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea
CID 126917727
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 126917690
N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 112708128
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
CID 126922727
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine
CID 126917924
2-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126917734
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 126916983
5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119430091
5-cyclopropyl-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119500515
5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 56711461

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 126917778) is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide is CC(C)(C)c1ccc(N2CC(CNC(=O)c3cc(C4CC4)[nH]n3)C2)nn1.
What is the InChIKey of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is RSOHKTNVWSIEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-19(2,3)16-6-7-17(24-23-16)25-10-12(11-25)9-20-18(26)15-8-14(21-22-15)13-4-5-13/h6-8,12-13H,4-5,9-11H2,1-3H3,(H,20,26)(H,21,22).
What are the key properties of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126917778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).