2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide

C22H21N7O2 — CID 171059012

IUPAC2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESNC(=O)C1CC1c1cnn(-c2cc(OCc3ccc(Cn4cccn4)cc3)cnn2)c1
InChIInChI=1S/C22H21N7O2/c23-22(30)20-9-19(20)17-10-26-29(13-17)21-8-18(11-24-27-21)31-14-16-4-2-15(3-5-16)12-28-7-1-6-25-28/h1-8,10-11,13,19-20H,9,12,14H2,(H2,23,30)
InChIKeyGYWAVQYWYHZHNI-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.07
Rot. Bonds8

About 2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide

2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide (PubChem CID 171059012) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide
PubChem CID171059012
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESNC(=O)C1CC1c1cnn(-c2cc(OCc3ccc(Cn4cccn4)cc3)cnn2)c1
InChIInChI=1S/C22H21N7O2/c23-22(30)20-9-19(20)17-10-26-29(13-17)21-8-18(11-24-27-21)31-14-16-4-2-15(3-5-16)12-28-7-1-6-25-28/h1-8,10-11,13,19-20H,9,12,14H2,(H2,23,30)
InChIKeyGYWAVQYWYHZHNI-UHFFFAOYSA-N
XLogP2.07
TPSA113.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine
CID 172773915
3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine
CID 171090290
1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine
CID 165134114
5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine
CID 171090125
pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate
CID 46562089
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120924767
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 16573030
cis-(1R,3S)-2,2-dimethyl-3-[[4-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122099583
1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole
CID 141170968
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
5-oxo-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 168698340

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide (CID 171059012) is 2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide is NC(=O)C1CC1c1cnn(-c2cc(OCc3ccc(Cn4cccn4)cc3)cnn2)c1.
What is the InChIKey of 2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The InChIKey is GYWAVQYWYHZHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c23-22(30)20-9-19(20)17-10-26-29(13-17)21-8-18(11-24-27-21)31-14-16-4-2-15(3-5-16)12-28-7-1-6-25-28/h1-8,10-11,13,19-20H,9,12,14H2,(H2,23,30).
What are the key properties of 2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide?
2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171059012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).